5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

• ChemBase ID: 230687
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: N1C(=O)NC(C1=O)(CCc1ccccc1)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)CCc1ccccc1
• InChI: InChI=1S/C12H14N2O2/c1-12(10(15)13-11(16)14-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)
• InChIKey: ABQYGDKEPFRUBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: methylphenylethylhydantoin
• Synonyms: 5-Methyl-5-phenethyl-imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD03966872
• PubChem SID: 164286597
• PubChem CID: 232317

CALCULATED PROPERTIES

• Acid pKa: 10.195232
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.652196
• LogD (pH = 7.4): 1.6515173
• Log P: 1.6522048
• Molar Refractivity: 59.4733 cm^3
• Polarizability: 23.071545 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.294

Product Information

• Purity: 95%