347907 <common-name>2-[[1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione</common-name> <description>2-[[1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione is a chemical compound with the formula C28H26N6O4. With an average molecular weight of 510.50 g/mol, 2-[[1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione is a heavy molecule.</description> <cas>115398-88-4</cas> <pubchem-id>3087648</pubchem-id> <chemical-formula>C28H26N6O4</chemical-formula> <weight>510.5</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">2026-08-31T11:45:35Z</created-at> <updated-at type="dateTime">2026-08-31T11:45:35Z</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>CC1=CC=C(C=C1)N2CCN(CC2)CN3C4=CC=CC=C4N=C3CN5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C28H26N6O4</moldb-formula> <moldb-inchi>InChI=1S/C28H26N6O4/c1-19-6-8-20(9-7-19)31-14-12-30(13-15-31)18-33-25-5-3-2-4-24(25)29-26(33)17-32-27(35)22-11-10-21(34(37)38)16-23(22)28(32)36/h2-11,16H,12-15,17-18H2,1H3</moldb-inchi> <moldb-inchikey>PTHOBLXWJGJARJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">510.2015533</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM343800</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-[[1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione</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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298243</sync-id> <structure-inchikey>PTHOBLXWJGJARJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000400000020800000000000000000008000000000000000005000000000000040000022002000008400002000000100000000000000000000000000100000000000000000080000000000002020000000810000001000000000400000000000200000000200000000110000000000020100000000000000000000000100000040008000804000000000000000000000001100000000000000000020040000000000000000000000080000040000000000000000008000000800001000000000000000000000000000000000001000000000002001800200040000010000420140000001000040000000008080000800001000000000000000000000</structure-fingerprint> 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