312517 <common-name>2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine</common-name> <description>2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine is a compound with the formula C18H20F3N4OS2+ and an average molecular weight of 429.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3079149</pubchem-id> <chemical-formula>C18H20F3N4OS2+</chemical-formula> <weight>429.5</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">2026-08-29T09:01:05Z</created-at> <updated-at type="dateTime">2026-08-29T09:01:05Z</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>CC1=C(C=C[N+](=C1CSSCCN)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC</moldb-smiles> <moldb-formula>C18H20F3N4OS2+</moldb-formula> <moldb-inchi>InChI=1S/C18H20F3N4OS2/c1-11-15(10-28-27-8-6-22)25(7-5-16(11)26-2)17-23-13-4-3-12(18(19,20)21)9-14(13)24-17/h3-5,7,9H,6,8,10,22H2,1-2H3,(H,23,24)/q+1</moldb-inchi> <moldb-inchikey>ULWOYNBQXKQGHM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">429.1030631</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM308410</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>2-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]pyridin-1-ium-2-yl]methyldisulfanyl]ethanamine</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>CED0263447</sync-id> <structure-inchikey>ULWOYNBQXKQGHM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800080002900000000000000000000000000000001480000000000000000002001200000042000000000000000080001000000000000000000000000000000000000000000000000400000000100000000000000002000000000004000000040000000100000000000000020002040000400001000008000000040000800004000200000000000001002000000000000000000080000000100000000000000000000080000000040000000040000000000000000200080000000000000000000800000004000400000100000002000004200000000000400000000008001000040000000000000800000000020002000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@h�������@h�������`*�������@(�������`������� ������ ������`�������`�������`������@(������@(������@(������@(������@8�������@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">2026-09-19T05:19:27Z</structure-indexed-at> </compound>