<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">311898</id>
  <title nil="true"/>
  <common-name>N-[2-(benzimidazol-1-yl)ethylcarbamoyl]-2-methoxybenzamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3050485</pubchem-id>
  <chemical-formula>C18H18N4O3</chemical-formula>
  <weight>338.4</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">2026-08-29T08:12:43Z</created-at>
  <updated-at type="dateTime">2026-08-29T08:12:43Z</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>COC1=CC=CC=C1C(=O)NC(=O)NCCN2C=NC3=CC=CC=C32</moldb-smiles>
  <moldb-formula>C18H18N4O3</moldb-formula>
  <moldb-inchi>InChI=1S/C18H18N4O3/c1-25-16-9-5-2-6-13(16)17(23)21-18(24)19-10-11-22-12-20-14-7-3-4-8-15(14)22/h2-9,12H,10-11H2,1H3,(H2,19,21,23,24)</moldb-inchi>
  <moldb-inchikey>XHXLSGKKJOAISQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">338.1378905</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM307791</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-[2-(benzimidazol-1-yl)ethylcarbamoyl]-2-methoxybenzamide</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>CED0262842</sync-id>
  <structure-inchikey>XHXLSGKKJOAISQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000800000000000000000000000004004000000005000400000000040000000000000000000002000000000004000000000000002000000000000000000000000200000000000000020041000000100000000000000000000000000010000000040000000000000000000000900000000000000008000000000000040000000804000010000004080000000000100000000040000000020040000000000000000000001080000802000000001090010000000000000000080000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000440000000000020000500000000000000</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���h���h���h���h���h���h���h���h���h���h�B����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:18:57Z</structure-indexed-at>
</compound>
