1.0 2016-05-22 05:48:49 UTC 2026-08-18 16:45:13 UTC Benznidazole SmallMolecule Benznidazole is an organic compound with the formula C12H12N4O3 and an average molecular weight of 260.25 g/mol. Benznidazole belongs to the organic nitro compounds, a subclass of allyl-type 1,3-dipolar organic compounds within the organic compounds. It is identified as being found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically as an antiprotozoal. The recorded exposure route for this compound is oral. Human Neurotoxin C12H12N4O3 260.253 260.090940262 N-benzyl-2-(2-nitro-1H-imidazol-1-yl)ethanimidic acid benznidazole 22994-85-0 OC(CN1C=CN=C1N(=O)=O)=NCC1=CC=CC=C1 InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17) CULUWZNBISUWAS-UHFFFAOYSA-N Organic compounds Organic 1,3-dipolar compounds Allyl-type 1,3-dipolar organic compounds Organic nitro compounds Nitroaromatic compounds Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Heteroaromatic compounds Hydrocarbon derivatives N-substituted imidazoles Organic oxides Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Aromatic heteromonocyclic compound Azacycle Azole Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Imidazole Monocyclic benzene moiety N-substituted imidazole Nitroaromatic compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aromatic heteromonocyclic compounds Detected and Not Quantified Benznidazole Drug Metabolism SMP0130664 Benznidazole Drug Metabolism Action Pathway SMP0144813 logp 1.32 logp 1.32 ALOGPS logs -2.93 ALOGPS solubility 3.06e-01 g/l ALOGPS logp 1.64 ChemAxon pka_strongest_acidic 2.28 ChemAxon pka_strongest_basic 4.37 ChemAxon iupac N-benzyl-2-(2-nitro-1H-imidazol-1-yl)ethanimidic acid ChemAxon average_mass 260.253 ChemAxon mono_mass 260.090940262 ChemAxon smiles OC(CN1C=CN=C1N(=O)=O)=NCC1=CC=CC=C1 ChemAxon formula C12H12N4O3 ChemAxon inchi InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17) ChemAxon inchikey CULUWZNBISUWAS-UHFFFAOYSA-N ChemAxon polar_surface_area 96.23 ChemAxon refractivity 68.65 ChemAxon polarizability 25.16 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f728110a658> DB11989 31593