ChemSpider 2D Image | 4-({4-[4-(4-Fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}oxy)benzonitrile | C25H21FN6O

4-({4-[4-(4-Fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}oxy)benzonitrile

  • Molecular FormulaC25H21FN6O
  • Average mass440.472 Da
  • Monoisotopic mass440.176086 Da
  • ChemSpider ID13800988

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-({4-[4-(4-Fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}oxy)benzonitrile [ACD/IUPAC Name]
4-({4-[4-(4-Fluorophényl)-1-(4-pipéridinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}oxy)benzonitrile [French] [ACD/IUPAC Name]
4-({4-[4-(4-Fluorphenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}oxy)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-[4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl]oxy]- [ACD/Index Name]
4-({4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}oxy)benzonitrile
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzonitrile
CHEMBL13972
SB-242721

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 693.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.1±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.61
Polar Surface Area: 89 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 327.9±7.0 cm3

Click to predict properties on the Chemicalize site


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