1.0 2016-09-30 23:05:54 UTC 2020-05-11 20:49:24 UTC BMDB0003701 BMDB03701 Dimethylbenzimidazole Dimethylbenzimidazole, also known as dimethylbenzimidazole, belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). Dimethylbenzimidazole exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Dimethylbenzimidazole exists in all living organisms, ranging from bacteria to humans. In cattle, dimethylbenzimidazole is involved in the metabolic pathway called the riboflavin metabolism pathway. Dimedazol Dimedazole Dimesol Dimezol 5,6-Dimethylbenzimidazole 5,6-Dimethyl-1H-benzimidazole DimezolDimedazol 5,6-Dimethylbenzimidazole hydrochloride C9H10N2 146.1891 146.08439833 5,6-dimethyl-1H-1,3-benzodiazole 5,6-dimethylbenzimidazole 582-60-5 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). Organic compounds Organoheterocyclic compounds Benzimidazoles Benzimidazoles Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organonitrogen compounds Organopnictogen compounds Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzimidazole Heteroaromatic compound Hydrocarbon derivative Imidazole Organic nitrogen compound Organonitrogen compound Organopnictogen compound Aromatic heteropolycyclic compounds a small molecule dimethylbenzimidazole Solid melting_point 205.5 °C logp 1.854 logp 1.88 ALOGPS logs -1.85 ALOGPS logp 2.29 ChemAxon pka_strongest_acidic 12.73 ChemAxon pka_strongest_basic 6.43 ChemAxon iupac 5,6-dimethyl-1H-1,3-benzodiazole ChemAxon average_mass 146.1891 ChemAxon mono_mass 146.08439833 ChemAxon smiles CC1=CC2=C(C=C1C)N=CN2 ChemAxon formula C9H10N2 ChemAxon inchi InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) ChemAxon inchikey LJUQGASMPRMWIW-UHFFFAOYSA-N ChemAxon polar_surface_area 28.68 ChemAxon refractivity 45.05 ChemAxon polarizability 16.47 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Riboflavin Metabolism SMP0087211 Specdb::CMs 1403 Specdb::CMs 1495 Specdb::CMs 12877 Specdb::CMs 31478 Specdb::CMs 31479 Specdb::CMs 31814 Specdb::CMs 31815 Specdb::CMs 135873 Specdb::CMs 143607 Specdb::NmrOneD 28602 Specdb::NmrOneD 28603 Specdb::NmrOneD 28604 Specdb::NmrOneD 28605 Specdb::NmrOneD 28606 Specdb::NmrOneD 28607 Specdb::NmrOneD 28608 Specdb::NmrOneD 28609 Specdb::NmrOneD 28610 Specdb::NmrOneD 28611 Specdb::NmrOneD 28612 Specdb::NmrOneD 28613 Specdb::NmrOneD 28614 Specdb::NmrOneD 28615 Specdb::NmrOneD 28616 Specdb::NmrOneD 28617 Specdb::NmrOneD 28618 Specdb::NmrOneD 28619 Specdb::NmrOneD 28620 Specdb::NmrOneD 28621 Specdb::MsMs 25598 Specdb::MsMs 25599 Specdb::MsMs 25600 Specdb::MsMs 32156 Specdb::MsMs 32157 Specdb::MsMs 32158 Specdb::MsMs 446048 Specdb::MsMs 446049 Specdb::MsMs 446050 Specdb::MsMs 446051 Specdb::MsMs 446052 Specdb::MsMs 1471158 Specdb::MsMs 1471181 Specdb::MsMs 2236206 Specdb::MsMs 2237158 Specdb::MsMs 2238312 Specdb::MsMs 2239286 Specdb::MsMs 2240429 Specdb::MsMs 2241256 Specdb::MsMs 2242547 Specdb::MsMs 2243323 Specdb::MsMs 2244608 Specdb::MsMs 2245525 Specdb::MsMs 2254454 Specdb::MsMs 2395198 Specdb::MsIr 2049 Specdb::MsIr 2050 Specdb::MsIr 2051 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Prostate Tissue 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 DB02591 FDB023216 C03114 655 675 15890 DIMETHYLBENZIMIDAZOLE Dimethylbenzimidazole