347068 <common-name>Methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-butylimidazo[1,2-a]benzimidazole-1-carboxylate</common-name> <description>Methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-butylimidazo[1,2-a]benzimidazole-1-carboxylate is a chemical compound with the formula C27H36N4O2. It has an average molecular weight of 448.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3088773</pubchem-id> <chemical-formula>C27H36N4O2</chemical-formula> <weight>448.6</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">2026-08-31T10:43:02Z</created-at> <updated-at type="dateTime">2026-08-31T10:43:02Z</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>CCCCN1C2=CC=CC=C2N3C1=NC(=C3C(=O)OC)CN(C)C45CC6CC(C4)CC(C6)C5</moldb-smiles> <moldb-formula>C27H36N4O2</moldb-formula> <moldb-inchi>InChI=1S/C27H36N4O2/c1-4-5-10-30-22-8-6-7-9-23(22)31-24(25(32)33-3)21(28-26(30)31)17-29(2)27-14-18-11-19(15-27)13-20(12-18)16-27/h6-9,18-20H,4-5,10-17H2,1-3H3</moldb-inchi> <moldb-inchikey>PCVNJXOJTZTCML-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">448.2838264</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</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>CHEM342961</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>Methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-butylimidazo[1,2-a]benzimidazole-1-carboxylate</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>CED0297415</sync-id> <structure-inchikey>PCVNJXOJTZTCML-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000400000000800000400000000040000040000000000000000000000000000002000000000800000000002000000000000000000000000000000010000000000800000000010000000000000024000001000100000020000000000000000022210000000040000400004000002000020100000000000000000000120000000048000100800000000000004080102000000100000000000000000000040800000000080000000000080000001000000002000000000000000000000000000000000000000000080000000000000000001000000000000200000000000000000000000001000840220040010400000000100000800000000000002000</structure-fingerprint> 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