296554 <common-name>N-[4-[bis(2-chloroethyl)amino]phenyl]-3-methyl-5-nitroimidazole-4-carboxamide</common-name> <description>N-[4-[bis(2-chloroethyl)amino]phenyl]-3-methyl-5-nitroimidazole-4-carboxamide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C15H17Cl2N5O3 and an average molecular weight of 386.20 g/mol.</description> <cas>61982-01-2</cas> <pubchem-id>3046324</pubchem-id> <chemical-formula>C15H17Cl2N5O3</chemical-formula> <weight>386.2</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-28T12:42:16Z</created-at> <updated-at type="dateTime">2026-08-28T12:42:16Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CN1C=NC(=C1C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C15H17Cl2N5O3</moldb-formula> <moldb-inchi>InChI=1S/C15H17Cl2N5O3/c1-20-10-18-14(22(24)25)13(20)15(23)19-11-2-4-12(5-3-11)21(8-6-16)9-7-17/h2-5,10H,6-9H2,1H3,(H,19,23)</moldb-inchi> <moldb-inchikey>DVUCRYCJNJUASC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">385.0708448</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM292447</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>N-[4-[bis(2-chloroethyl)amino]phenyl]-3-methyl-5-nitroimidazole-4-carboxamide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0247951</sync-id> <structure-inchikey>DVUCRYCJNJUASC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000020000000000000000100000000000000000000080000000000000000000000002000000000000000000000000002000000000000000000000000000020000000000020000000000000001000000000400000000000010000000210000400004000000000000900000080000000000000000800000040000400008004000000004080000000001000000000000000000000000000000000000000000000080000004000000001088000000000000004000000000000000000000000000000000000000011000000000008000200000000000000008000000000000040040000000400000001001008202000000000000000</structure-fingerprint> 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