Basic information
- Standard SMILES
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C=O)cc4)cc3)nc12- InChIKey
OETPCXPWZKFWJS-UHFFFAOYSA-N- Molecular formula
- C21H15N3O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.11642673
Names & identifiers
- Preferred name
- 2-(4'-formylbipheny-4-yl)-1H-benzimidazole-4-carboxamide
- IUPAC
- 2-[4-(4-formylphenyl)phenyl]-1H-benzimidazole-4-carboxamide
Names & synonyms
SCHEMBL3260128OETPCXPWZKFWJS-UHFFFAOYSA-N2-(4'-formylbipheny-4-yl)-1H-benzimidazole-4-carboxamide
Database identifiers
- PubChem CID
- 87500516
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
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