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

• ChemBase ID: 361014
• Molecular Formular: C20H19FN4O2
• Molecular Mass: 366.3888632
• Monoisotopic Mass: 366.14920409
• SMILES: c1(c(nc([nH]1)CNC(=O)[C@@H]1OCCC1)c1cc(F)ccc1)c1ncccc1
• Canonical SMILES: Fc1cccc(c1)c1nc([nH]c1c1ccccn1)CNC(=O)[C@H]1CCCO1
• InChI: InChI=1S/C20H19FN4O2/c21-14-6-3-5-13(11-14)18-19(15-7-1-2-9-22-15)25-17(24-18)12-23-20(26)16-8-4-10-27-16/h1-3,5-7,9,11,16H,4,8,10,12H2,(H,23,26)(H,24,25)/t16-/m1/s1
• InChIKey: NQLWNENDLZHLBU-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.897052
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2002103
• LogD (pH = 7.4): 2.2268975
• Log P: 2.2273715
• Molar Refractivity: 97.4621 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: 1.96
• LOG S: -3.54
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5