<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">328311</id>
  <title nil="true"/>
  <common-name>[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3039566</pubchem-id>
  <chemical-formula>C21H27N3O</chemical-formula>
  <weight>337.5</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">2026-08-30T08:09:47Z</created-at>
  <updated-at type="dateTime">2026-08-30T08:09:47Z</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>CCCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)N(CC)CC)O</moldb-smiles>
  <moldb-formula>C21H27N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C21H27N3O/c1-4-15-24-19-10-8-7-9-18(19)22-21(24)20(25)16-11-13-17(14-12-16)23(5-2)6-3/h7-14,20,25H,4-6,15H2,1-3H3</moldb-inchi>
  <moldb-inchikey>ZZLAJGOVKIFDNM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">337.2154125</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM324204</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>[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol</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>CED0278903</sync-id>
  <structure-inchikey>ZZLAJGOVKIFDNM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000040000000080000000000000000100000008000000000010000000000000004200000000000000040800200000000000000000010000000000000000000000000000000000000000000400000000000000000000000000000000000000002021000800000000000000400000000000090020008000000000000000000200004000040080c000000000004000000000000100000000000000000000040000000000000000010400080000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000200000000000000000000000005000040000000008000000001000000000000000000000001</structure-fingerprint>
  <structure-pattern-fingerprint>501400000912824081000b44012820000010140005052000003520408200098c44022050128000001100410804c0000004600025608c32010022647000a04000c7110c0012d0040000901000007202800804059053211b3240040462502241000c2805270048020160402410d5340200200680700101e0045118286002710002504801084ef08208080602400e2c0008391c0812440014820001182020c000a400c310020098c00002000960017c25100ac000008941084018a0421028c04238801010e404d0023305810400341112800c410000020050600d00020408000300101048100889220000000411d1122004001000308042000e4108110072100402</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�B�������	
������	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:31:26Z</structure-indexed-at>
</compound>
