1.0 2016-09-30 22:47:11 UTC 2020-05-11 20:55:41 UTC BMDB0001525 BMDB01525 Imidazole 1,3-Diaza-2,4-cyclopentadiene 1,3-Diazole Glyoxaline Him IMD Imidazol Iminazole Miazole N,N'-1,2-ethenediylmethanimidamide N,N'-vinyleneformamidine Pyrro[b]monazole 1H-Imidazole Glyoxalin Imutex Pyrro(b)monazole {Pyrro[b]monazole} Imidazole acetate Imidazole monophosphonate Imidazole sodium Imidazolium chloride Al-imidazole Imidazole citrate Cu-imidazole Imidazole conjugate monoacid Imidazole monohydrochloride Imidazole C3H4N2 68.0773 68.037448138 1H-imidazole imidazole 288-32-4 N1C=CN=C1 InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5) RAXXELZNTBOGNW-UHFFFAOYSA-N belongs to the class of organic compounds known as imidazoles. Imidazoles are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. Organic compounds Organoheterocyclic compounds Azoles Imidazoles Imidazoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Imidazole Organic nitrogen compound Organonitrogen compound Organopnictogen compound Aromatic heteromonocyclic compounds an aromatic compound imidazole mancude organic heteromonocyclic parent monocyclic heteroarene Solid melting_point 90.5 °C logp -0.08 HANSCH,C ET AL. (1995) logp -0.21 ALOGPS logs 0.90 ALOGPS logp -0.15 ChemAxon pka_strongest_acidic 13.4 ChemAxon pka_strongest_basic 6.97 ChemAxon iupac 1H-imidazole ChemAxon average_mass 68.0773 ChemAxon mono_mass 68.037448138 ChemAxon smiles N1C=CN=C1 ChemAxon formula C3H4N2 ChemAxon inchi InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5) ChemAxon inchikey RAXXELZNTBOGNW-UHFFFAOYSA-N ChemAxon polar_surface_area 28.68 ChemAxon refractivity 19.01 ChemAxon polarizability 6.56 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1311 Specdb::MsIr 1312 Specdb::MsIr 1313 Specdb::NmrTwoD 1081 Specdb::NmrTwoD 1664 Specdb::CMs 6641 Specdb::CMs 28004 Specdb::CMs 99696 Specdb::CMs 166501 Specdb::MsMs 1625 Specdb::MsMs 1626 Specdb::MsMs 1627 Specdb::MsMs 5371 Specdb::MsMs 5372 Specdb::MsMs 5373 Specdb::MsMs 5374 Specdb::MsMs 5375 Specdb::MsMs 5376 Specdb::MsMs 248865 Specdb::MsMs 248866 Specdb::MsMs 248867 Specdb::MsMs 268806 Specdb::MsMs 268807 Specdb::MsMs 268808 Specdb::MsMs 446385 Specdb::MsMs 446386 Specdb::MsMs 446387 Specdb::MsMs 446388 Specdb::MsMs 446389 Specdb::MsMs 452283 Specdb::MsMs 2246473 Specdb::MsMs 2471526 Specdb::MsMs 2471527 Specdb::MsMs 2471528 Specdb::NmrOneD 1723 Specdb::NmrOneD 148040 Specdb::NmrOneD 148041 Specdb::NmrOneD 148042 Specdb::NmrOneD 148043 Specdb::NmrOneD 148044 Specdb::NmrOneD 148045 Specdb::NmrOneD 148046 Specdb::NmrOneD 148047 Specdb::NmrOneD 148048 Specdb::NmrOneD 148049 Specdb::NmrOneD 148050 Specdb::NmrOneD 148051 Specdb::NmrOneD 148052 Specdb::NmrOneD 148053 Specdb::NmrOneD 148054 Specdb::NmrOneD 148055 Specdb::NmrOneD 148056 Specdb::NmrOneD 148057 Specdb::NmrOneD 148058 Specdb::NmrOneD 148059 Specdb::NmrOneD 166530 Adrenal Cortex Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Adrenal Gland Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Blood Detected by NMR. Samples have been collected from 22 clinically normal, 6-12 month old Holstein–Friesian heifers and stored at -20 °C for between 2 and 15 years. Trabi M, Keller MD, Johnsson NN. NMR-based metabonomics of bovine blood: an investigation into the effects of long term storage on plasma samples. Metabolomics (2013) 9:1041-1047 doi: 10.1007/s11306-013-0520-2 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Neuron Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Platelet Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Testis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 773 FDB012307 C01589 795 DB03366 16069 Imidazole 4190 Lu, Zhongmin; Liu, Xinzheng. Review of process for synthesis of imidazole. Huagong Shikan (1999), 13(2), 26-27.