({[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}sulfamoyl)dimethylamine

• ChemBase ID: 575423
• Molecular Formular: C17H18FN5O2S
• Molecular Mass: 375.4205232
• Monoisotopic Mass: 375.11652406
• SMILES: c1(c(nc([nH]1)CNS(=O)(=O)N(C)C)c1cc(F)ccc1)c1ncccc1
• Canonical SMILES: Fc1cccc(c1)c1nc([nH]c1c1ccccn1)CNS(=O)(=O)N(C)C
• InChI: InChI=1S/C17H18FN5O2S/c1-23(2)26(24,25)20-11-15-21-16(12-6-5-7-13(18)10-12)17(22-15)14-8-3-4-9-19-14/h3-10,20H,11H2,1-2H3,(H,21,22)
• InChIKey: KFYXFUCQTWOBSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}sulfamoyl)dimethylamine
• IUPAC Traditional name: ({[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}sulfamoyl)dimethylamine
• Synonyms: N'-{[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl}-N,N-dimethylsulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.62056
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2439035
• LogD (pH = 7.4): 1.269503
• Log P: 1.2700758
• Molar Refractivity: 95.8915 cm^3
• Polarizability: 40.14965 Å^3
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.0
• LOG S: -3.65
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 4