1.0 2016-05-22 06:01:53 UTC 2026-08-19 16:45:47 UTC Bendamustine SmallMolecule Bendamustine is an organic compound with the formula C16H21Cl2N3O2 and an average molecular weight of 358.26 g/mol. Bendamustine belongs to the benzimidazoles, a class of organoheterocyclic compounds within the organic compounds. The substance is found in or released from four recorded sources, including healthcare, pharmaceuticals & veterinary products as antineoplastic agents, electrical & electronic equipment such as line transmission systems, and building & construction specifically regarding sunshades awnings or outside screens. The recorded route of exposure for this compound is intravenous. Bendamustin C16H21Cl2N3O2 358.263 357.101082345 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid bendamustine 16506-27-7 CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23) YTKUWDBFDASYHO-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Benzimidazoles Benzimidazoles Alkyl chlorides Amino acids Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Dialkylarylamines Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives N-substituted imidazoles Nitrogen mustard compounds Organic oxides Organochlorides Organopnictogen compounds Alkyl chloride Alkyl halide Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzimidazole Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkylarylamine Heteroaromatic compound Hydrocarbon derivative Imidazole Monocarboxylic acid or derivatives N-substituted imidazole Nitrogen mustard Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic/aromatic amine Tertiary amine Aromatic heteropolycyclic compounds Detected and Not Quantified Bendamustine Action Pathway SMP0126606 Bendamustine Drug Metabolism Action Pathway SMP0144110 logp 1.8 logp 3.07 ALOGPS logs -3.76 ALOGPS solubility 6.18e-02 g/l ALOGPS logp 1.66 ChemAxon pka_strongest_acidic 4.38 ChemAxon pka_strongest_basic 6.65 ChemAxon iupac 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid ChemAxon average_mass 358.263 ChemAxon mono_mass 357.101082345 ChemAxon smiles CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl ChemAxon formula C16H21Cl2N3O2 ChemAxon inchi InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23) ChemAxon inchikey YTKUWDBFDASYHO-UHFFFAOYSA-N ChemAxon polar_surface_area 58.36 ChemAxon refractivity 92.92 ChemAxon polarizability 38.19 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7283655a20> DB06769 65628 59069