5-methyl-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione

• ChemBase ID: 251342
• Molecular Formular: C13H16N2O5
• Molecular Mass: 280.27654
• Monoisotopic Mass: 280.10592162
• SMILES: N1C(=O)C(NC1=O)(c1cc(c(c(c1)OC)OC)OC)C
• Canonical SMILES: COc1cc(cc(c1OC)OC)C1(C)NC(=O)NC1=O
• InChI: InChI=1S/C13H16N2O5/c1-13(11(16)14-12(17)15-13)7-5-8(18-2)10(20-4)9(6-7)19-3/h5-6H,1-4H3,(H2,14,15,16,17)
• InChIKey: APKQJCVBKQBNRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
• Synonyms: 5-methyl-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00022399
• PubChem SID: 164307252
• PubChem CID: 253119

CALCULATED PROPERTIES

• Acid pKa: 9.769302
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.44593793
• LogD (pH = 7.4): 0.44413054
• Log P: 0.44596103
• Molar Refractivity: 69.5069 cm^3
• Polarizability: 27.03999 Å^3
• Polar Surface Area: 85.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): 0.346

Product Information

• Purity: 95%