346904 <common-name>2-tert-butyl-3-phenyl-4-(2-piperidin-1-ylethyl)pyrrolo[1,2-a]benzimidazole</common-name> <description>2-tert-butyl-3-phenyl-4-(2-piperidin-1-ylethyl)pyrrolo[1,2-a]benzimidazole is a chemical compound with the formula C27H33N3. It has an average molecular weight of 399.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3075302</pubchem-id> <chemical-formula>C27H33N3</chemical-formula> <weight>399.6</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">2026-08-31T10:27:56Z</created-at> <updated-at type="dateTime">2026-08-31T10:27:56Z</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>CC(C)(C)C1=CN2C3=CC=CC=C3N(C2=C1C4=CC=CC=C4)CCN5CCCCC5</moldb-smiles> <moldb-formula>C27H33N3</moldb-formula> <moldb-inchi>InChI=1S/C27H33N3/c1-27(2,3)22-20-30-24-15-9-8-14-23(24)29(19-18-28-16-10-5-11-17-28)26(30)25(22)21-12-6-4-7-13-21/h4,6-9,12-15,20H,5,10-11,16-19H2,1-3H3</moldb-inchi> <moldb-inchikey>XSZZZJISTFRFOK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">399.2674481</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.1</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>CHEM342797</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-tert-butyl-3-phenyl-4-(2-piperidin-1-ylethyl)pyrrolo[1,2-a]benzimidazole</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>Pyrroles</klass> <subklass>Substituted pyrroles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0297252</sync-id> <structure-inchikey>XSZZZJISTFRFOK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000040000000080000000200000008000000000000000000000000000000000000000000400001000000000000480000010000000000080000000000000000000000000000000000000008000000000000000000002000000804000000000000020000000000000000000000000000002010000000000000000000000080000004000010080000000000000400080000000010000000000000000000004000000000000100000000008000000010200004000000000a000000000000000000000000000010000000000000000000000040000000000001200000000010000001000000000000040000000000000000000000040000002004000000000</structure-fingerprint> 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