(5R)-5-ethyl-1,3-dimethyl-5-phenylimidazolidine-2,4-dione

• ChemBase ID: 173921
• Molecular Formular: C13H16N2O2
• Molecular Mass: 232.27834
• Monoisotopic Mass: 232.12117776
• SMILES: C1(=O)[C@@](N(C(=O)N1C)C)(CC)c1ccccc1
• Canonical SMILES: CC[C@]1(c2ccccc2)N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C13H16N2O2/c1-4-13(10-8-6-5-7-9-10)11(16)14(2)12(17)15(13)3/h5-9H,4H2,1-3H3/t13-/m1/s1
• InChIKey: UOKWEFNDJRRNST-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-ethyl-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: (5R)-5-ethyl-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
• Synonyms: [(R)-1,3-Dimethyl-5-Ethyl-5-phenylhydantoin]; (R)-5-Ethyl-1,3-dimethyl-5-phenyl-2,4-imidazolidinedione; (R)-1-Methylmephenytoin

Database IDs

• CAS Number: 201606-44-2
• PubChem SID: 164229831
• PubChem CID: 29983914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8888494
• LogD (pH = 7.4): 1.8888494
• Log P: 1.8888494
• Molar Refractivity: 64.4347 cm^3
• Polarizability: 24.905256 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane
• Apperance: White Crystalline Solid
• Melting Point: 89-90°C

Safety Information

• Storage Condition: Refrigerator

REFERENCES

• Shimada: Anal. Biochem., 147, 174 (1975)