<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">340168</id>
  <title nil="true"/>
  <common-name>1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone</common-name>
  <description>1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone is a chemical compound with the formula C24H31N3O2. It has an average molecular weight of 393.50 g/mol.</description>
  <cas>13406-60-5</cas>
  <pubchem-id>25957</pubchem-id>
  <chemical-formula>C24H31N3O2</chemical-formula>
  <weight>393.5</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">2026-08-30T23:40:05Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:40:05Z</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>CCN(CC)CCN1C2=C(C=C(C=C2)C(=O)C)N=C1CC3=CC=C(C=C3)OCC</moldb-smiles>
  <moldb-formula>C24H31N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H31N3O2/c1-5-26(6-2)14-15-27-23-13-10-20(18(4)28)17-22(23)25-24(27)16-19-8-11-21(12-9-19)29-7-3/h8-13,17H,5-7,14-16H2,1-4H3</moldb-inchi>
  <moldb-inchikey>CFGBPNSLTKLAKK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">393.2416272</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM336061</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>1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone</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>CED0290584</sync-id>
  <structure-inchikey>CFGBPNSLTKLAKK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000400800002000000000000000000008000000000000400100000000002000202200000000000002000000000000000000000400000000000100000000000000000000000004800000020000000000100004200000000000000000000210000000000000008104000000000000900000000000000000000400000000041000000004000000000004000000000020000000000020000000000000000000000000000000000084020000000020000080000000000000000000000000000000000000000000000000001080000004000000000000220000000000000000800000001000040000000008400000001000000040000000004000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAHwAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:40:30Z</structure-indexed-at>
</compound>
