5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

• ChemBase ID: 251075
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: C1(=O)NC(=O)C(N1c1ccc(cc1)C)C
• Canonical SMILES: CC1C(=O)NC(=O)N1c1ccc(cc1)C
• InChI: InChI=1S/C11H12N2O2/c1-7-3-5-9(6-4-7)13-8(2)10(14)12-11(13)15/h3-6,8H,1-2H3,(H,12,14,15)
• InChIKey: YJBYUBOFZKFXIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
• Synonyms: 5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD03653099
• PubChem SID: 164306985
• PubChem CID: 4231791

CALCULATED PROPERTIES

• Acid pKa: 9.328587
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.513536
• LogD (pH = 7.4): 1.5085689
• Log P: 1.5135996
• Molar Refractivity: 55.2555 cm^3
• Polarizability: 21.145824 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 1.852

Product Information

• Purity: 95%