2-(2-phenyl-1H-imidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethan-1-one

• ChemBase ID: 723861
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)N1CC(OCc2ncccc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)OCc1ccccn1)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C22H24N4O2/c27-21(16-26-14-12-24-22(26)18-7-2-1-3-8-18)25-13-6-10-20(15-25)28-17-19-9-4-5-11-23-19/h1-5,7-9,11-12,14,20H,6,10,13,15-17H2
• InChIKey: MTVRRSAYAGLGLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenyl-1H-imidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethan-1-one
• IUPAC Traditional name: 2-(2-phenylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
• Synonyms: 2-[({1-[(2-phenyl-1H-imidazol-1-yl)acetyl]-3-piperidinyl}oxy)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6579798
• LogD (pH = 7.4): 2.2096891
• Log P: 2.2284765
• Molar Refractivity: 116.8995 cm^3
• Polarizability: 42.003223 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.82
• LOG S: -2.2
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6