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

• ChemBase ID: 251048
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: N1C(=O)C(NC1=O)(c1ccc(cc1)C)C
• Canonical SMILES: O=C1NC(=O)NC1(C)c1ccc(cc1)C
• InChI: InChI=1S/C11H12N2O2/c1-7-3-5-8(6-4-7)11(2)9(14)12-10(15)13-11/h3-6H,1-2H3,(H2,12,13,14,15)
• InChIKey: RTMDEHNRMKFSML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
• Synonyms: 5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00068873
• PubChem SID: 164306958
• PubChem CID: 289049

CALCULATED PROPERTIES

• Acid pKa: 9.830902
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4323761
• LogD (pH = 7.4): 1.4308074
• Log P: 1.4323962
• Molar Refractivity: 55.1585 cm^3
• Polarizability: 21.155 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 1.545

Product Information

• Purity: 95%