5-ethyl-3-[2-oxo-2-(piperazin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione hydrochloride

• ChemBase ID: 255375
• Molecular Formular: C17H23ClN4O3
• Molecular Mass: 366.84252
• Monoisotopic Mass: 366.1458683
• SMILES: N1(C(=O)NC(C1=O)(c1ccccc1)CC)CC(=O)N1CCNCC1.Cl
• Canonical SMILES: CCC1(NC(=O)N(C1=O)CC(=O)N1CCNCC1)c1ccccc1.Cl
• InChI: InChI=1S/C17H22N4O3.ClH/c1-2-17(13-6-4-3-5-7-13)15(23)21(16(24)19-17)12-14(22)20-10-8-18-9-11-20;/h3-7,18H,2,8-12H2,1H3,(H,19,24);1H
• InChIKey: NBTSPVLZORYRIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-3-[2-oxo-2-(piperazin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione hydrochloride
• IUPAC Traditional name: 5-ethyl-3-[2-oxo-2-(piperazin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione hydrochloride
• Synonyms: 5-ethyl-3-(2-oxo-2-piperazin-1-ylethyl)-5-phenylimidazolidine-2,4-dione hydrochloride

Database IDs

• MDL Number: MFCD09971554
• PubChem SID: 164311285
• PubChem CID: 43810576

CALCULATED PROPERTIES

• Acid pKa: 11.101846
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.027195
• LogD (pH = 7.4): -0.3132826
• Log P: 0.24763775
• Molar Refractivity: 87.9936 cm^3
• Polarizability: 34.304615 Å^3
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.309

Product Information

• Purity: 95%