1-(2-phenylethyl)imidazolidine-2,4-dione

• ChemBase ID: 256871
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: C1(=O)NC(=O)CN1CCc1ccccc1
• Canonical SMILES: O=C1NC(=O)N(C1)CCc1ccccc1
• InChI: InChI=1S/C11H12N2O2/c14-10-8-13(11(15)12-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15)
• InChIKey: GDIQVXFGKOCFJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 1-(2-phenylethyl)imidazolidine-2,4-dione
• Synonyms: 1-(2-phenylethyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD11099503
• PubChem SID: 164312781
• PubChem CID: 21829089

CALCULATED PROPERTIES

• Acid pKa: 9.933424
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.78657407
• LogD (pH = 7.4): 0.78533465
• Log P: 0.7865899
• Molar Refractivity: 55.3104 cm^3
• Polarizability: 21.234583 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.092

Product Information

• Purity: 95%