Basic information
- Standard SMILES
O=C(CCCn1ccnc1)c1ccc(Cl)cc1- InChIKey
VQUIZGHXOQONKW-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O
- Average molar mass
- 248.71 g/mol
- Monoisotopic mass
- 248.0716407
Names & identifiers
- Preferred name
- 1-[4-(4-Chlorophenyl)butan-4-onyl]imidazole
- IUPAC
- 1-(4-chlorophenyl)-4-imidazol-1-ylbutan-1-one
Names & synonyms
SCHEMBL6943143VQUIZGHXOQONKW-UHFFFAOYSA-N1-[4-(4-chlorophenyl)butan-4-onyl]imidazole1-(4-chlorophenyl)-4-(1-(1H)-imidazolyl)-1-butanone
Database identifiers
- PubChem CID
- 19078335
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
10 records
Compound notes
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