296958 <common-name>[4-(1-butylimidazol-4-yl)phenyl] acetate</common-name> <description>[4-(1-butylimidazol-4-yl)phenyl] acetate belongs to the imidazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the formula C15H18N2O2 and an average molecular weight of 258.32 g/mol.</description> <cas nil="true"/> <pubchem-id>218244</pubchem-id> <chemical-formula>C15H18N2O2</chemical-formula> <weight>258.32</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">2026-08-28T13:09:34Z</created-at> <updated-at type="dateTime">2026-08-28T13:09:34Z</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>CCCCN1C=C(N=C1)C2=CC=C(C=C2)OC(=O)C</moldb-smiles> <moldb-formula>C15H18N2O2</moldb-formula> <moldb-inchi>InChI=1S/C15H18N2O2/c1-3-4-9-17-10-15(16-11-17)13-5-7-14(8-6-13)19-12(2)18/h5-8,10-11H,3-4,9H2,1-2H3</moldb-inchi> <moldb-inchikey>WHGJJHLXEXZGDO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">258.1368278</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM292851</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-(1-butylimidazol-4-yl)phenyl] acetate</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>Azoles</klass> <subklass>Imidazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0248346</sync-id> <structure-inchikey>WHGJJHLXEXZGDO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000100000000000004000000020000002000000000000020000000000000000000008000000000000000000000000000000100000000000000200000000001000002000000000000000000200100000000000000001000008000000009000000000008000000004000100000400000000000000000000040008000000000000000000000000000000000000000000000040000040c0000000000000002080000000000000000000000000000000000000100000000000000000000000000000040000200000100000000000000000080000040200000010400000000000010000000000000000000</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�B����������� �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:08:02Z</structure-indexed-at> </compound>