1-(1-phenylethyl)imidazolidine-2,4,5-trione

• ChemBase ID: 254309
• Molecular Formular: C11H10N2O3
• Molecular Mass: 218.2087
• Monoisotopic Mass: 218.06914219
• SMILES: N1(C(=O)NC(=O)C1=O)C(c1ccccc1)C
• Canonical SMILES: O=C1NC(=O)C(=O)N1C(c1ccccc1)C
• InChI: InChI=1S/C11H10N2O3/c1-7(8-5-3-2-4-6-8)13-10(15)9(14)12-11(13)16/h2-7H,1H3,(H,12,14,16)
• InChIKey: JPMSKOJBIRMXIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-phenylethyl)imidazolidine-2,4,5-trione
• IUPAC Traditional name: 1-(1-phenylethyl)imidazolidine-2,4,5-trione
• Synonyms: 1-(1-phenylethyl)imidazolidine-2,4,5-trione

Database IDs

• MDL Number: MFCD11205068
• PubChem SID: 164310219
• PubChem CID: 43131908

CALCULATED PROPERTIES

• Acid pKa: 7.3186226
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1545774
• LogD (pH = 7.4): 0.8233576
• Log P: 1.1610469
• Molar Refractivity: 55.3537 cm^3
• Polarizability: 21.34599 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.503

Product Information

• Purity: 95%