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

• ChemBase ID: 843939
• Molecular Formular: C21H22FN5O2
• Molecular Mass: 395.4300832
• Monoisotopic Mass: 395.17575319
• SMILES: c1(c(nc([nH]1)CNC(=O)CC1OCCNC1)c1cc(F)ccc1)c1ncccc1
• Canonical SMILES: O=C(CC1OCCNC1)NCc1[nH]c(c(n1)c1cccc(c1)F)c1ccccn1
• InChI: InChI=1S/C21H22FN5O2/c22-15-5-3-4-14(10-15)20-21(17-6-1-2-7-24-17)27-18(26-20)13-25-19(28)11-16-12-23-8-9-29-16/h1-7,10,16,23H,8-9,11-13H2,(H,25,28)(H,26,27)
• InChIKey: MAKSHZJDPNUOHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.914159
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.4233931
• LogD (pH = 7.4): 0.29212803
• Log P: 1.3704692
• Molar Refractivity: 105.3008 cm^3
• Polarizability: 43.37967 Å^3
• Polar Surface Area: 91.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.01
• LOG S: -2.94
• Polar Surface Area: 91.93 Å^2
• Rotatable Bonds: 6