325587 <common-name>N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-propan-2-yloxybenzamide</common-name> <description>N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-propan-2-yloxybenzamide is a chemical compound with the formula C21H16N6O4. It has an average molecular weight of 416.40 g/mol.</description> <cas>116477-68-0</cas> <pubchem-id>3299999</pubchem-id> <chemical-formula>C21H16N6O4</chemical-formula> <weight>416.4</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">2026-08-30T03:26:20Z</created-at> <updated-at type="dateTime">2026-08-30T03:26:20Z</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>CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N</moldb-smiles> <moldb-formula>C21H16N6O4</moldb-formula> <moldb-inchi>InChI=1S/C21H16N6O4/c1-12(2)31-18-8-7-14(27(29)30)9-15(18)20(28)24-19-13(10-22)11-26-17-6-4-3-5-16(17)23-21(26)25-19/h3-9,11-12H,1-2H3,(H,23,24,25,28)</moldb-inchi> <moldb-inchikey>ZSJAMKKWJPYYJE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">416.123303</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</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>CHEM321480</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-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-propan-2-yloxybenzamide</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>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0276222</sync-id> <structure-inchikey>ZSJAMKKWJPYYJE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000004000000000002000000200000000000000000000000000000000000000010400000000000000004400060000000020000010000008000020000800000000000100000000000800000000000200090200001000810000000004000000002000100000002010000001000000000000001000000080000000000010000000000c0000000804000005000800080000000001100000000000000000020040000000000000000000000088000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000200200000000000428000000001020040000000000400000800001060200100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������"���€���`�������`�������`�������(������@(������@(������@h�������@(������@h�������@h������� *��������(������ *���ÿ����(�������(�������h�������@(������@(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@(�������(�������(����������������� ��h���h���h���h�� h�� �(� � � �(� � �� ��h���h���h���h���h���h���h���h���h���h���h���h��� ��(� �h���h���h���h�B������ ����������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:27Z</structure-indexed-at> </compound>