5-methyl-5-(naphthalen-2-yl)imidazolidine-2,4-dione

• ChemBase ID: 230903
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: N1C(=O)C(NC1=O)(c1cc2c(cc1)cccc2)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H12N2O2/c1-14(12(17)15-13(18)16-14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3,(H2,15,16,17,18)
• InChIKey: IZHDQRZCNDMXAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(naphthalen-2-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-5-(naphthalen-2-yl)imidazolidine-2,4-dione
• Synonyms: 5-Methyl-5-naphthalen-2-yl-imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00441405
• PubChem SID: 164286813
• PubChem CID: 5000632

CALCULATED PROPERTIES

• Acid pKa: 9.834254
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9084316
• LogD (pH = 7.4): 1.9068749
• Log P: 1.9084516
• Molar Refractivity: 66.5675 cm^3
• Polarizability: 26.880491 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 2.22

Product Information

• Purity: 95%