8-[(1-ethyl-1H-imidazol-5-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 691978
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: c1(n(cnc1)CC)CN1CC2(CN(C(=O)CC2)CCc2ccccc2)CCC1
• Canonical SMILES: CCn1cncc1CN1CCCC2(C1)CCC(=O)N(C2)CCc1ccccc1
• InChI: InChI=1S/C23H32N4O/c1-2-26-19-24-15-21(26)16-25-13-6-11-23(17-25)12-9-22(28)27(18-23)14-10-20-7-4-3-5-8-20/h3-5,7-8,15,19H,2,6,9-14,16-18H2,1H3
• InChIKey: QFQFPFNCUKIREC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1-ethyl-1H-imidazol-5-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[(3-ethylimidazol-4-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(1-ethyl-1H-imidazol-5-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.016194947
• LogD (pH = 7.4): 1.6033006
• Log P: 2.3502429
• Molar Refractivity: 113.454 cm^3
• Polarizability: 43.718925 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.38
• LOG S: -4.01
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6