ChemSpider 2D Image | 1-[4-(2-Fluorophenyl)-1-piperazinyl]-4-[3-(4-methylbenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-butanone | C28H30FN5O

1-[4-(2-Fluorophenyl)-1-piperazinyl]-4-[3-(4-methylbenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-butanone

  • Molecular FormulaC28H30FN5O
  • Average mass471.569 Da
  • Monoisotopic mass471.243439 Da
  • ChemSpider ID23001081

More details:

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

1-[4-(2-Fluorophenyl)-1-piperazinyl]-4-[3-(4-methylbenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-butanone [ACD/IUPAC Name]
1-[4-(2-Fluorophényl)-1-pipérazinyl]-4-[3-(4-méthylbenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-butanone [French] [ACD/IUPAC Name]
1-[4-(2-Fluorphenyl)-1-piperazinyl]-4-[3-(4-methylbenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 1-[4-(2-fluorophenyl)-1-piperazinyl]-4-[3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl]- [ACD/Index Name]
2-{4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3-(4-methylbenzyl)-3H-imidazo[4,5-b]pyridine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 381.1±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 137.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 1925.99
ACD/KOC (pH 5.5): 7011.43
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2800.95
ACD/KOC (pH 7.4): 10196.68
Polar Surface Area: 54 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 381.4±7.0 cm3

Click to predict properties on the Chemicalize site


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