5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione

• ChemBase ID: 234722
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: C1(C(=O)NC(=O)N1)(c1c2c(ccc1)cccc2)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1cccc2c1cccc2
• InChI: InChI=1S/C14H12N2O2/c1-14(12(17)15-13(18)16-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H2,15,16,17,18)
• InChIKey: PIEMNNIYBRGZFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
• Synonyms: 5-methyl-5-(1-naphthyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD06342791
• PubChem SID: 164290632
• PubChem CID: 240515

CALCULATED PROPERTIES

• Acid pKa: 9.834144
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9084316
• LogD (pH = 7.4): 1.9068745
• Log P: 1.9084516
• Molar Refractivity: 66.5675 cm^3
• Polarizability: 26.881636 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): 2.22

Product Information

• Purity: 95%