5-methyl-1-phenylimidazolidine-2,4-dione

• ChemBase ID: 253169
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: C1(=O)NC(=O)C(N1c1ccccc1)C
• Canonical SMILES: CC1C(=O)NC(=O)N1c1ccccc1
• InChI: InChI=1S/C10H10N2O2/c1-7-9(13)11-10(14)12(7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13,14)
• InChIKey: ZCAXVIHEALTJJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-1-phenylimidazolidine-2,4-dione
• Synonyms: 5-methyl-1-phenylimidazolidine-2,4-dione

Database IDs

• CAS Number: 105510-41-6
• MDL Number: MFCD00182103
• PubChem SID: 164309079
• PubChem CID: 2829827

CALCULATED PROPERTIES

• Acid pKa: 9.328451
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0001146
• LogD (pH = 7.4): 0.99514586
• Log P: 1.0001783
• Molar Refractivity: 50.2143 cm^3
• Polarizability: 19.386448 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): 1.353

Product Information

• Purity: 95%