N-{[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}oxolane-3-carboxamide

• ChemBase ID: 727842
• Molecular Formular: C20H19FN4O2
• Molecular Mass: 366.3888632
• Monoisotopic Mass: 366.14920409
• SMILES: c1(c(nc([nH]1)CNC(=O)C1COCC1)c1cc(F)ccc1)c1ncccc1
• Canonical SMILES: Fc1cccc(c1)c1nc([nH]c1c1ccccn1)CNC(=O)C1CCOC1
• InChI: InChI=1S/C20H19FN4O2/c21-15-5-3-4-13(10-15)18-19(16-6-1-2-8-22-16)25-17(24-18)11-23-20(26)14-7-9-27-12-14/h1-6,8,10,14H,7,9,11-12H2,(H,23,26)(H,24,25)
• InChIKey: ICVUBXYSQNHWKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}oxolane-3-carboxamide
• IUPAC Traditional name: N-{[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}oxolane-3-carboxamide
• Synonyms: N-{[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl}tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.911122
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8889213
• LogD (pH = 7.4): 1.9156139
• Log P: 1.9160839
• Molar Refractivity: 97.7181 cm^3
• Polarizability: 40.01069 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.89
• LOG S: -3.48
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5