ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yloxy)-4-[4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]pyrimidine | C25H22FN5O3

2-(1,3-Benzodioxol-5-yloxy)-4-[4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]pyrimidine

  • Molecular FormulaC25H22FN5O3
  • Average mass459.472 Da
  • Monoisotopic mass459.170654 Da
  • ChemSpider ID13469690

More details:

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

2-(1,3-Benzodioxol-5-yloxy)-4-[4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]pyrimidine [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yloxy)-4-[4-(4-fluorophényl)-1-(4-pipéridinyl)-1H-imidazol-5-yl]pyrimidine [French] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yloxy)-4-[4-(4-fluorphenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]pyrimidin [German] [ACD/IUPAC Name]
Pyrimidine, 2-(1,3-benzodioxol-5-yloxy)-4-[4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]- [ACD/Index Name]
2-(1,3-benzodioxol-5-yloxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine
2-(Benzo[1,3]dioxol-5-yloxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CHEMBL273611
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273611/
SB-250715

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

Density: 1.5±0.1 g/cm3
Boiling Point: 682.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.8±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 122.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 83 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

Click to predict properties on the Chemicalize site


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