1H-Benzimidazole, 1-benzoyl-
Basic information
- CAS
62573-86-8- Standard SMILES
O=C(c1ccccc1)n1cnc2ccccc21- InChIKey
IYVBKVVOHXVKRD-UHFFFAOYSA-N- Molecular formula
- C14H10N2O
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.07931295
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 1-benzoyl-
- IUPAC
- benzimidazol-1-yl(phenyl)methanone
- English name
- 1-Benzoyl-1H-benzimidazole
- Molecular formula
- C14H10N2O
- Molecular weight
- 222.24
Names & synonyms
62573-86-81H-Benzimidazole, 1-benzoyl-(1H-Benzo[d]imidazol-1-yl)(phenyl)methanone1-Benzoyl-1H-benzimidazole1-benzoyl-1H-1,3-benzodiazoleN-benzoylbenzimidazolebenzimidazolyl phenyl ketoneCambridge id 5172830TimTec1_000806CBDivE_006382BDBM3788CHEMBL153600
Show more names
Methanone, 1H-benzimidazol-1-ylphenyl-
SCHEMBL34770481-Phenylbenzimidazole deriv. 5DTXSID10351818HMS1536E14HMS3448I12AKOS000506064ST010700(1H-1,3-Benzimidazol-1-yl)(phenyl)methanone
Database identifiers
- CAS
62573-86-8- PubChem CID
- 710688
- DTXSID
DTXSID10351818- ChEMBL
CHEMBL153600- Nikkaji
- J1.059.643B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 93 · 93-94 °C
- Boiling point
- 408.1 · 408.1±28.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 2.74 · 2.74±0.10(Predicted)
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Related reactions
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Compound notes
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