5-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione

• ChemBase ID: 407565
• Molecular Formular: C15H21N5O3
• Molecular Mass: 319.35894
• Monoisotopic Mass: 319.16443956
• SMILES: N1C(=O)NC(C1=O)CC(=O)N1CCC(c2n(ccn2)CC)CC1
• Canonical SMILES: CCn1ccnc1C1CCN(CC1)C(=O)CC1NC(=O)NC1=O
• InChI: InChI=1S/C15H21N5O3/c1-2-19-8-5-16-13(19)10-3-6-20(7-4-10)12(21)9-11-14(22)18-15(23)17-11/h5,8,10-11H,2-4,6-7,9H2,1H3,(H2,17,18,22,23)
• InChIKey: WMMHDMDOSYJHQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-{2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione
• Synonyms: 5-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.626328
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7106168
• LogD (pH = 7.4): -1.0614262
• Log P: -1.0280777
• Molar Refractivity: 82.028 cm^3
• Polarizability: 31.429234 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.13
• LOG S: -1.87
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 4