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

• ChemBase ID: 701704
• Molecular Formular: C17H27N5O2
• Molecular Mass: 333.42858
• Monoisotopic Mass: 333.21647513
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2[nH]c(nc2C)CC)CC1)CC
• Canonical SMILES: CCC1(NC(=O)NC1=O)C1CCN(CC1)Cc1[nH]c(nc1C)CC
• InChI: InChI=1S/C17H27N5O2/c1-4-14-18-11(3)13(19-14)10-22-8-6-12(7-9-22)17(5-2)15(23)20-16(24)21-17/h12H,4-10H2,1-3H3,(H,18,19)(H2,20,21,23,24)
• InChIKey: PAPBNIFFHHMYBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-5-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-5-{1-[(2-ethyl-5-methyl-3H-imidazol-4-yl)methyl]piperidin-4-yl}imidazolidine-2,4-dione
• Synonyms: 5-ethyl-5-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.183106
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.1944938
• LogD (pH = 7.4): -0.0029219643
• Log P: 0.68540597
• Molar Refractivity: 91.4018 cm^3
• Polarizability: 35.278458 Å^3
• Polar Surface Area: 90.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.38
• LOG S: -1.96
• Polar Surface Area: 90.12 Å^2
• Rotatable Bonds: 5