3-({2-[1-(2-fluorobenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}methyl)pyridine

• ChemBase ID: 693067
• Molecular Formular: C21H21FN4O
• Molecular Mass: 364.4160432
• Monoisotopic Mass: 364.16993953
• SMILES: c1(n(Cc2cnccc2)ccn1)C1CN(C(=O)c2c(F)cccc2)CCC1
• Canonical SMILES: Fc1ccccc1C(=O)N1CCCC(C1)c1nccn1Cc1cccnc1
• InChI: InChI=1S/C21H21FN4O/c22-19-8-2-1-7-18(19)21(27)26-11-4-6-17(15-26)20-24-10-12-25(20)14-16-5-3-9-23-13-16/h1-3,5,7-10,12-13,17H,4,6,11,14-15H2
• InChIKey: XOKMOPHSQLWCEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({2-[1-(2-fluorobenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}methyl)pyridine
• IUPAC Traditional name: 3-({2-[1-(2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl}methyl)pyridine
• Synonyms: 3-({2-[1-(2-fluorobenzoyl)-3-piperidinyl]-1H-imidazol-1-yl}methyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7598015
• LogD (pH = 7.4): 2.545391
• Log P: 2.5746212
• Molar Refractivity: 101.5363 cm^3
• Polarizability: 38.166676 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.54
• LOG S: -1.02
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4