316251 <common-name>Methyl 6-(2-fluoro-4-iodoanilino)-3-methyl-1-prop-2-enylbenzimidazol-3-ium-5-carboxylate</common-name> <description>Methyl 6-(2-fluoro-4-iodoanilino)-3-methyl-1-prop-2-enylbenzimidazol-3-ium-5-carboxylate is a chemical compound with the formula C19H18FIN3O2+. It has an average molecular weight of 466.30 g/mol.</description> <cas nil="true"/> <pubchem-id>71671588</pubchem-id> <chemical-formula>C19H18FIN3O2+</chemical-formula> <weight>466.3</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">2026-08-29T13:57:57Z</created-at> <updated-at type="dateTime">2026-08-29T13:57:57Z</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>C[N+]1=CN(C2=C1C=C(C(=C2)NC3=C(C=C(C=C3)I)F)C(=O)OC)CC=C</moldb-smiles> <moldb-formula>C19H18FIN3O2+</moldb-formula> <moldb-inchi>InChI=1S/C19H17FIN3O2/c1-4-7-24-11-23(2)17-9-13(19(25)26-3)16(10-18(17)24)22-15-6-5-12(21)8-14(15)20/h4-6,8-11H,1,7H2,2-3H3/p+1</moldb-inchi> <moldb-inchikey>BWXUHEWQAGLXAK-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">466.04278</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5</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>CHEM312144</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>Methyl 6-(2-fluoro-4-iodoanilino)-3-methyl-1-prop-2-enylbenzimidazol-3-ium-5-carboxylate</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>Benzimidazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0267090</sync-id> <structure-inchikey>BWXUHEWQAGLXAK-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>400000000800000000000000040000000000000000000000000000100000002000000000001000000000000080000000000000011000008100800002000000000080000000000000000000020040040010310000000000000000000000000010000000040400000100000002000000188100000000400000000000000000040000000000000000000002080000000000000000080000000000000000000000000000000000200080000000000000000010000100002110000000000000000000000200000000000040001000000000000000000000200000000000000000800008000800040000000001400800000000000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHAAAAIABBgBgAAAAAQMHYCoAAAAB AwQGQGgAAAADAwEHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEG QCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBwBoAAAAAwIBBkAoAAAAAwQGQCgA AAADBAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBNQAgAAAA AQkAIAAAAAEGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGAGAAAAABAwYAYAAA AAICBgBoAAAAAwMBBgBoAAAAAwICCwABAAECaAwCA2gMAwRoDAQFaAwFBmgM BgdoDAcIaAwICWgMCAogCgsgCwxoDAwNaAwNDmgMDg9oDA8QaAwOEQAMEgAH EyATFCgCExUgFRYAAxcAFxgAGBkIAgUBaAwJBGgMEAtoDEIDAAAABQECAwQF BgYHCAkEBQYMDQ4PEAsXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:22Z</structure-indexed-at> </compound>