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

• ChemBase ID: 247373
• Molecular Formular: C13H16N2O2
• Molecular Mass: 232.27834
• Monoisotopic Mass: 232.12117776
• SMILES: N1C(=O)C(NC1=O)(c1ccc(cc1)CCC)C
• Canonical SMILES: CCCc1ccc(cc1)C1(C)NC(=O)NC1=O
• InChI: InChI=1S/C13H16N2O2/c1-3-4-9-5-7-10(8-6-9)13(2)11(16)14-12(17)15-13/h5-8H,3-4H2,1-2H3,(H2,14,15,16,17)
• InChIKey: IOWQZPBYACJJOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06655419
• PubChem SID: 164303283
• PubChem CID: 4962033

CALCULATED PROPERTIES

• Acid pKa: 9.83535
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3215137
• LogD (pH = 7.4): 2.3199608
• Log P: 2.3215334
• Molar Refractivity: 64.3605 cm^3
• Polarizability: 24.828058 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.603

Product Information

• Purity: 95%