1-(3-methoxyphenyl)imidazolidine-2,4,5-trione

• ChemBase ID: 255852
• Molecular Formular: C10H8N2O4
• Molecular Mass: 220.18152
• Monoisotopic Mass: 220.04840675
• SMILES: N1(C(=O)NC(=O)C1=O)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)N1C(=O)NC(=O)C1=O
• InChI: InChI=1S/C10H8N2O4/c1-16-7-4-2-3-6(5-7)12-9(14)8(13)11-10(12)15/h2-5H,1H3,(H,11,13,15)
• InChIKey: NIQKUAZKRJCIOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)imidazolidine-2,4,5-trione
• IUPAC Traditional name: 1-(3-methoxyphenyl)imidazolidine-2,4,5-trione
• Synonyms: 1-(3-methoxyphenyl)imidazolidine-2,4,5-trione

Database IDs

• MDL Number: MFCD09040634
• PubChem SID: 164311762
• PubChem CID: 16228699

CALCULATED PROPERTIES

• Acid pKa: 6.7574277
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.49719155
• LogD (pH = 7.4): -0.19017008
• Log P: 0.52028584
• Molar Refractivity: 52.5631 cm^3
• Polarizability: 20.235476 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C
• Hydrophobicity(logP): -0.366

Product Information

• Purity: 95%