1-(2-methylcyclohexyl)imidazolidine-2,4,5-trione

• ChemBase ID: 235554
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: N1(C(=O)NC(=O)C1=O)C1C(C)CCCC1
• Canonical SMILES: CC1CCCCC1N1C(=O)NC(=O)C1=O
• InChI: InChI=1S/C10H14N2O3/c1-6-4-2-3-5-7(6)12-9(14)8(13)11-10(12)15/h6-7H,2-5H2,1H3,(H,11,13,15)
• InChIKey: BYUCGTZZXWBWNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06342739
• PubChem SID: 164291464
• PubChem CID: 3847077

CALCULATED PROPERTIES

• Acid pKa: 7.328071
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1779108
• LogD (pH = 7.4): 0.851566
• Log P: 1.184242
• Molar Refractivity: 51.8081 cm^3
• Polarizability: 20.274223 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.886

Product Information

• Purity: 95%