46870 <common-name>2-(3-Pyridyl)-1H-benzimidazole</common-name> <description nil="true"/> <cas>1137-67-3</cas> <pubchem-id>247635</pubchem-id> <chemical-formula>C12H9N3</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">2016-06-03T13:40:07Z</created-at> <updated-at type="dateTime">2026-03-27T01:45:45Z</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>N1C2=CC=CC=C2N=C1C1=CN=CC=C1</moldb-smiles> <moldb-formula>C12H9N3</moldb-formula> <moldb-inchi>InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)</moldb-inchi> <moldb-inchikey>BOUOQESVDURNSB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">195.225</moldb-average-mass> <moldb-mono-mass type="decimal">195.079647302</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>216780</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>CHEM045765</chemdb-id> <dsstox-id>DTXSID40289655</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>BfG,Schüsener 2015</stoff-ident-origin> <stoff-ident-id>SI00008950</stoff-ident-id> <susdat-id>NS00007675</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>41.57</moldb-polar-surface-area> <moldb-refractivity>67.9132</moldb-refractivity> <moldb-polarizability>21.224562317659807</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>11.232798166590765</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>4.984544471713411</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.30</moldb-alogps-logp> <moldb-alogps-logs>-2.60</moldb-alogps-logs> <moldb-alogps-solubility>4.87e-01 g/l</moldb-alogps-solubility> </compound>