5-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione

• ChemBase ID: 232432
• Molecular Formular: C13H16N2O2
• Molecular Mass: 232.27834
• Monoisotopic Mass: 232.12117776
• SMILES: N1C(=O)C(NC1=O)(CC(C)C)c1ccccc1
• Canonical SMILES: CC(CC1(NC(=O)NC1=O)c1ccccc1)C
• InChI: InChI=1S/C13H16N2O2/c1-9(2)8-13(10-6-4-3-5-7-10)11(16)14-12(17)15-13/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17)
• InChIKey: SYVOCCKCQWJPAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
• Synonyms: 5-Isobutyl-5-phenyl-imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD04613018
• PubChem SID: 164288342
• PubChem CID: 243330

CALCULATED PROPERTIES

• Acid pKa: 9.830079
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.173065
• LogD (pH = 7.4): 2.171493
• Log P: 2.173085
• Molar Refractivity: 63.7909 cm^3
• Polarizability: 24.905283 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.503

Product Information

• Purity: 95%