2-[2-(1-{[2-(difluoromethoxy)phenyl]methyl}piperidin-3-yl)-1H-imidazol-1-yl]acetamide

• ChemBase ID: 387427
• Molecular Formular: C18H22F2N4O2
• Molecular Mass: 364.3896864
• Monoisotopic Mass: 364.1710824
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(Cc2c(OC(F)F)cccc2)CCC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)Cc1ccccc1OC(F)F
• InChI: InChI=1S/C18H22F2N4O2/c19-18(20)26-15-6-2-1-4-13(15)10-23-8-3-5-14(11-23)17-22-7-9-24(17)12-16(21)25/h1-2,4,6-7,9,14,18H,3,5,8,10-12H2,(H2,21,25)
• InChIKey: HOMABUCWKUBOAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1-{[2-(difluoromethoxy)phenyl]methyl}piperidin-3-yl)-1H-imidazol-1-yl]acetamide
• IUPAC Traditional name: 2-[2-(1-{[2-(difluoromethoxy)phenyl]methyl}piperidin-3-yl)imidazol-1-yl]acetamide
• Synonyms: 2-(2-{1-[2-(difluoromethoxy)benzyl]-3-piperidinyl}-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.6966715
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.91864514
• LogD (pH = 7.4): 1.1643115
• Log P: 2.0086508
• Molar Refractivity: 92.914 cm^3
• Polarizability: 35.39766 Å^3
• Polar Surface Area: 73.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.78
• LOG S: -2.52
• Polar Surface Area: 73.38 Å^2
• Rotatable Bonds: 7