46915 <common-name>N-[4-(1H-benzimidazol-2-yl)phenyl]-N,N-dimethylamine</common-name> <description nil="true"/> <cas>2562-71-2</cas> <pubchem-id>242786</pubchem-id> <chemical-formula>C15H15N3</chemical-formula> <weight nil="true"/> <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">2016-06-03T13:42:44Z</created-at> <updated-at type="dateTime">2026-03-26T22:59:37Z</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>CN(C)C1=CC=C(C=C1)C1=NC2=CC=CC=C2N1</moldb-smiles> <moldb-formula>C15H15N3</moldb-formula> <moldb-inchi>InChI=1S/C15H15N3/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)17-15/h3-10H,1-2H3,(H,16,17)</moldb-inchi> <moldb-inchikey>ZKBBGUJBGLTNEK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">237.306</moldb-average-mass> <moldb-mono-mass type="decimal">237.126597495</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>212235</chemspider-id> <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>CHEM045810</chemdb-id> <dsstox-id>DTXSID80287594</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>BfG,Schüsener 2015</stoff-ident-origin> <stoff-ident-id>SI00009042</stoff-ident-id> <susdat-id>NS00005002</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>31.92</moldb-polar-surface-area> <moldb-refractivity>84.49870000000001</moldb-refractivity> <moldb-polarizability>27.892545560199615</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>11.639928056304413</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>5.321328458194726</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.73</moldb-alogps-logp> <moldb-alogps-logs>-3.17</moldb-alogps-logs> <moldb-alogps-solubility>1.60e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzimidazoles</klass> <subklass>Phenylbenzimidazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id nil="true"/> </compound>