2-(4-Chlorocinnamoyl)benzimidazole
Basic information
- CAS
36998-77-3- Standard SMILES
O=C(C=Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1- InChIKey
VLOYJJMQBUMMMP-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.0559907
Names & identifiers
- Preferred name
- 2-(4-Chlorocinnamoyl)benzimidazole
- IUPAC
- 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
Names & synonyms
36998-77-32-(4-Chlorocinnamoyl)benzimidazoleRefChem:2521151-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-oneDTXSID501297374NCI60_040226
Database identifiers
- CAS
36998-77-3- PubChem CID
- 216007
- DTXSID
DTXSID501297374
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
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Compound notes
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