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

• ChemBase ID: 246898
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: N1C(=O)C(NC1=O)(c1ccc(cc1)C)CC
• Canonical SMILES: CCC1(NC(=O)NC1=O)c1ccc(cc1)C
• InChI: InChI=1S/C12H14N2O2/c1-3-12(10(15)13-11(16)14-12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
• InChIKey: WKOXCNOYLNBVMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06655363
• PubChem SID: 164302808
• PubChem CID: 4961983

CALCULATED PROPERTIES

• Acid pKa: 9.829265
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9548985
• LogD (pH = 7.4): 1.9533237
• Log P: 1.9549186
• Molar Refractivity: 59.6825 cm^3
• Polarizability: 22.991297 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.074

Product Information

• Purity: 95%