301757 <common-name>N-[(e)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(4-nitroimidazol-1-yl)acetamide</common-name> <description>N-[(e)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(4-nitroimidazol-1-yl)acetamide belongs to the imidazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the formula C16H18Cl2N6O3 and an average molecular weight of 413.30 g/mol.</description> <cas>93637-69-5</cas> <pubchem-id>14400753</pubchem-id> <chemical-formula>C16H18Cl2N6O3</chemical-formula> <weight>413.3</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">2026-08-28T18:49:21Z</created-at> <updated-at type="dateTime">2026-08-28T18:49:21Z</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>C1=CC(=CC=C1C=NNC(=O)CN2C=C(N=C2)[N+](=O)[O-])N(CCCl)CCCl</moldb-smiles> <moldb-formula>C16H18Cl2N6O3</moldb-formula> <moldb-inchi>InChI=1S/C16H18Cl2N6O3/c17-5-7-23(8-6-18)14-3-1-13(2-4-14)9-20-21-16(25)11-22-10-15(19-12-22)24(26)27/h1-4,9-10,12H,5-8,11H2,(H,21,25)/b20-9+</moldb-inchi> <moldb-inchikey>GNHOMAMXAIDFJH-AWQFTUOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">412.0817438</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>CHEM297650</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-[(e)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(4-nitroimidazol-1-yl)acetamide</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>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Imidazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0252989</sync-id> <structure-inchikey>GNHOMAMXAIDFJH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400040000000008000000000000000000000000000000000000000000004020000000004020000400000000420000000000000000000008000000000000000000000000000000000200000000000200000000002000010040080004000000000000100000002000000800040000000000809000000c0000000000000000800000000000400008024000000000080400000021000000000000000000000000000008000000000000004080000000000000001088000000000000000000000000000000000000000000000000000000011000000000000400200000000000000000000000000001048000000000400000001001000000000000000004000</structure-fingerprint> 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