Basic information
- Standard SMILES
O=c1[nH]c2ccccc2n1Cc1ccccc1- InChIKey
AUGPRLHZAOPVIR-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 1-Benzyl-1H-benzo[d]imidazol-2(3H)-one
- IUPAC
- 3-benzyl-1H-benzimidazol-2-one
Names & synonyms
28643-53-01-Benzyl-1H-benzo[d]imidazol-2(3H)-one1-benzyl-1,3-dihydro-2H-benzimidazol-2-one1-benzyl-2,3-dihydro-1H-1,3-benzodiazol-2-one1-benzyl-3-hydrobenzimidazol-2-one3-benzyl-1H-benzimidazol-2-one1-Benzylbenzimidazol-2(3H)-oneSMR000127215Oprea1_389821MLS000529724SCHEMBL152719SCHEMBL2761355
Show more names
SCHEMBL2762074SCHEMBL7265395CHEMBL1891746AUGPRLHZAOPVIR-UHFFFAOYSA-NHMS1699E02HMS2251C14CCG-50754MFCD00451271
Database identifiers
- PubChem CID
- 736505
- ChEMBL
CHEMBL1891746- Nikkaji
- J104.571G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
6 records
Compound notes
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