Summary

IMPPAT Phytochemical identifier: IMPHY013779

Phytochemical name: 2-Phenylbenzimidazole

Synonymous chemical names:
2-phenyl-1h-benzimidazole

External chemical identifiers:
CID:12855, ChEMBL:CHEMBL153535, ZINC:ZINC000000001932, FDASRS:CB9ZJ140SB, SureChEMBL:SCHEMBL105095, MolPort-000-475-937

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Chemical structure information

SMILES:
c1ccc(cc1)c1nc2c([nH]1)cccc2

InChI:
InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)

InChIKey:
DWYHDSLIWMUSOO-UHFFFAOYSA-N

DeepSMILES:
cccccc6))cncc[nH]5)cccc6

Functional groups:
c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2nc3ccccc3[nH]2)cc1

Scaffold Graph/Node level:
C1CCC(C2NC3CCCCC3N2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzimidazoles

ClassyFire Subclass: Phenylbenzimidazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: -1.057

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Chemical structure download