<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">301563</id>
  <title nil="true"/>
  <common-name>2-[6-(2-methoxyphenyl)-1h-benzimidazol-2-yl]ethanamine</common-name>
  <description>2-[6-(2-methoxyphenyl)-1h-benzimidazol-2-yl]ethanamine is a chemical compound with the formula C16H17N3O. It has an average molecular weight of 267.33 g/mol.</description>
  <cas>2639445-88-6</cas>
  <pubchem-id>155971128</pubchem-id>
  <chemical-formula>C16H17N3O</chemical-formula>
  <weight>267.33</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">2026-08-28T18:37:43Z</created-at>
  <updated-at type="dateTime">2026-08-28T18:37:43Z</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=C1C2=CC3=C(C=C2)N=C(N3)CCN</moldb-smiles>
  <moldb-formula>C16H17N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C16H17N3O/c1-20-15-5-3-2-4-12(15)11-6-7-13-14(10-11)19-16(18-13)8-9-17/h2-7,10H,8-9,17H2,1H3,(H,18,19)</moldb-inchi>
  <moldb-inchikey>BUFXKEFUIFJLPB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">267.1371622</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.4</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>CHEM297456</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-[6-(2-methoxyphenyl)-1h-benzimidazol-2-yl]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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0252802</sync-id>
  <structure-inchikey>BUFXKEFUIFJLPB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>900000000100000000002000000000000000000000400000020000000000000001008000042000000000000000000000000000000000000000000000080000000000000000000800000000000100020000000000000000000000000000000040000000100000800000000000000040000480000000100000000040000000804000200000000000809000000100000000001000000000000000000000000010000000080000002000000000000000000000000000000080000000000000000000000000000000000000000000020000004200000000000000000000008001000040000000000000000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>501000000122824080000940010820000010140001052002003520400200008c40020010128000000000410804800000042100a4408c32010020647000a04000c6110c00021006000090100002620280040405905321113240000662102041220c280407004082002000241054140201200680700101c0041118082002510002004001084cd08208080202400e3c0008391c081244001482000208002040008400c310001018c00002000948017c25100ac00000894108401880420028c042380000008404000213018000000401128004400000020050200d0002040800030010100a10000122000000101241122000001020308042000e4008000050100002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@(������@(������@h�������@h�������@(������@(������@8��������`�������`�������`����������� ��h���h���h���h���h��� �	h�	
h�
�h���h��h���h���h���h������������h��h��
h�B������������	
������
������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:11:14Z</structure-indexed-at>
</compound>
