1.0 2010-04-08 22:09:53 UTC 2019-11-26 03:05:41 UTC FDB011890 2-Butyl-1H-benzimidazole Constituent of chicken eggs. 2-Butyl-1H-benzimidazole is found in eggs. 1H-Benzimidazole, 2-butyl- 2-Butyl-benzimidazole 2-Butylbenzimidazole Benzimidazole, 2-butyl- C11H14N2 174.2423 174.115698458 2-butyl-1H-1,3-benzodiazole 2-butyl-1H-1,3-benzodiazole 5851-44-5 CCCCC1=NC2=CC=CC=C2N1 InChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13) HITWHALOZBMLHY-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). Benzimidazoles Organic compounds Organoheterocyclic compounds Benzimidazoles Aromatic heteropolycyclic compounds 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 logp 3.63 ALOGPS logs -2.52 ALOGPS solubility 5.25e-01 g/l ALOGPS melting_point Mp 153-154° logp 2.97 ChemAxon pka_strongest_acidic 12.55 ChemAxon pka_strongest_basic 6.18 ChemAxon iupac 2-butyl-1H-1,3-benzodiazole ChemAxon average_mass 174.2423 ChemAxon mono_mass 174.115698458 ChemAxon smiles CCCCC1=NC2=CC=CC=C2N1 ChemAxon formula C11H14N2 ChemAxon inchi InChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13) ChemAxon inchikey HITWHALOZBMLHY-UHFFFAOYSA-N ChemAxon polar_surface_area 28.68 ChemAxon refractivity 53.24 ChemAxon polarizability 20.9 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21804 Specdb::CMs 136152 Specdb::CMs 143886 Specdb::MsIr 6240 Specdb::MsIr 6241 Specdb::MsIr 6242 Specdb::MsMs 80466 Specdb::MsMs 80467 Specdb::MsMs 80468 Specdb::MsMs 141348 Specdb::MsMs 141349 Specdb::MsMs 141350 Specdb::MsMs 2824774 Specdb::MsMs 2824775 Specdb::MsMs 2824776 Specdb::MsMs 2853961 Specdb::MsMs 2853962 Specdb::MsMs 2853963 HMDB33755 #<Reference:0x000055ce32d0cd88> Eggs Unknown generic