1-acetyl-3-methyl-4,5-diphenyl-1,3-dihydro-2H-imidazol-2-one
Basic information
- CAS
6444-56-0- Standard SMILES
CC(=O)n1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O- InChIKey
PTEHQQNPWLKMEE-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117776
Names & identifiers
- Preferred name
- 1-acetyl-3-methyl-4,5-diphenyl-1,3-dihydro-2H-imidazol-2-one
- IUPAC
- 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one
Names & synonyms
1-acetyl-3-methyl-4,5-diphenyl-1,3-dihydro-2H-imidazol-2-one6444-56-0MLS001178624CHEMBL1885925DTXSID90983010HMS2798L11SMR000476333AG-927/14899001
Database identifiers
- CAS
6444-56-0- PubChem CID
- 899887
- DTXSID
DTXSID90983010- ChEMBL
CHEMBL1885925
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
Solubility>43.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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