<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312666</id>
  <title nil="true"/>
  <common-name>3-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]benzamide</common-name>
  <description>3-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]benzamide is a chemical compound with the formula C18H20N4O. It has an average molecular weight of 308.40 g/mol.</description>
  <cas>2694733-80-5</cas>
  <pubchem-id>165948119</pubchem-id>
  <chemical-formula>C18H20N4O</chemical-formula>
  <weight>308.4</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">2026-08-29T09:15:40Z</created-at>
  <updated-at type="dateTime">2026-08-29T09:15:40Z</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=C2C(=C1)N=C(N2CCC3=CC(=CC=C3)C(=O)N)CCN</moldb-smiles>
  <moldb-formula>C18H20N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C18H20N4O/c19-10-8-17-21-15-6-1-2-7-16(15)22(17)11-9-13-4-3-5-14(12-13)18(20)23/h1-7,12H,8-11,19H2,(H2,20,23)</moldb-inchi>
  <moldb-inchikey>JBWYYGNZCVOBQM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">308.1637113</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM308559</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>3-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]benzamide</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0263595</sync-id>
  <structure-inchikey>JBWYYGNZCVOBQM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000080000080000000080000000000000000000000000000000000004000040204000000040000200000000000000000000040000000000010000000000000000000000000000000002000000000000000000000000000000000000021000000000000000010800000000000010000000000040000000000000100000020000080400000000000400000900000010000000000100000000004000000000000000000000008400000000000000000000000000000000000000000000000000000000000000000000000000000000000010000022000000000020000000000a001000040000000008400000000000000004000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h�������@(������@(������@(�������`�������`������@(������@h�������@(������@h�������@h�������@h��������(�������(�������h��������`�������`�������`��������h���h���h���h���h���h���h���h��	�	
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����h��h��h���h���h�� ��(��� �����������h���h���h�B���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:19:36Z</structure-indexed-at>
</compound>
