1,4-Dimethyl-5-phenyl-2-imidazolinone
Basic information
- CAS
22199-48-0- Standard SMILES
Cc1[nH]c(=O)n(C)c1-c1ccccc1- InChIKey
DSBAKUBEPYOCFX-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Overview
structure
Names & identifiers
- Preferred name
- 1,4-Dimethyl-5-phenyl-2-imidazolinone
- IUPAC
- 3,5-dimethyl-4-phenyl-1H-imidazol-2-one
- English name
- 1,4-Dimethyl-1,3-dihydro-5-phenyl-2H-imidazol-2-one
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
22199-48-0Gpa-18511,4-Dimethyl-5-phenyl-2-imidazolinoneDTXSID601767351,3-Dihydro-1,4-dimethyl-5-phenyl-2H-imidazol-2-oneRefChem:73304DTXCID1099226Gpa 1851CHEMBL4282431,4-dimethyl-5-phenyl-1,3-dihydro-2H-imidazol-2-one1,4-Dimethyl-1,3-dihydro-5-phenyl-2H-imidazol-2-one2H-Imidazol-2-one, 1,3-dihydro-1,4-dimethyl-5-phenyl-
Database identifiers
- CAS
22199-48-0- PubChem CID
- 31024
- DTXSID
DTXSID60176735- ChEMBL
CHEMBL428243- Nikkaji
- J394.868D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 12.12 · 12.12±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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