5-(1-hydroxyethyl)imidazolidine-2,4-dione

• ChemBase ID: 258280
• Molecular Formular: C5H8N2O3
• Molecular Mass: 144.12862
• Monoisotopic Mass: 144.05349213
• SMILES: N1C(=O)C(NC1=O)C(O)C
• Canonical SMILES: CC(C1NC(=O)NC1=O)O
• InChI: InChI=1S/C5H8N2O3/c1-2(8)3-4(9)7-5(10)6-3/h2-3,8H,1H3,(H2,6,7,9,10)
• InChIKey: RYOMFXACAPZPIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-hydroxyethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(1-hydroxyethyl)imidazolidine-2,4-dione
• Synonyms: 5-(1-hydroxyethyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD04240856
• PubChem SID: 164314190
• PubChem CID: 19985294

CALCULATED PROPERTIES

• Acid pKa: 9.594149
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.5118257
• LogD (pH = 7.4): -1.514528
• Log P: -1.5117911
• Molar Refractivity: 31.5025 cm^3
• Polarizability: 12.436757 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -1.976

Product Information

• Purity: 95%