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

• ChemBase ID: 269730
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: N1C(=O)C(NC1=O)(c1c(C)cccc1)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1ccccc1C
• InChI: InChI=1S/C11H12N2O2/c1-7-5-3-4-6-8(7)11(2)9(14)12-10(15)13-11/h3-6H,1-2H3,(H2,12,13,14,15)
• InChIKey: ISQYMAJQGFCFJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09731381
• PubChem SID: 164325640
• PubChem CID: 16784640

CALCULATED PROPERTIES

• Acid pKa: 9.830834
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4323761
• LogD (pH = 7.4): 1.4308071
• Log P: 1.4323962
• Molar Refractivity: 55.1585 cm^3
• Polarizability: 21.155357 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.495

Product Information

• Purity: 95%