ChemSpider 2D Image | {5-[(2-Methyl-1H-benzimidazol-1-yl)methyl]-1H-pyrazol-3-yl}[4-(2-pyrazinyl)-1-piperazinyl]methanone | C21H22N8O

{5-[(2-Methyl-1H-benzimidazol-1-yl)methyl]-1H-pyrazol-3-yl}[4-(2-pyrazinyl)-1-piperazinyl]methanone

  • Molecular FormulaC21H22N8O
  • Average mass402.452 Da
  • Monoisotopic mass402.191650 Da
  • ChemSpider ID22136408

More details:

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

{5-[(2-Methyl-1H-benzimidazol-1-yl)methyl]-1H-pyrazol-3-yl}[4-(2-pyrazinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
{5-[(2-Methyl-1H-benzimidazol-1-yl)methyl]-1H-pyrazol-3-yl}[4-(2-pyrazinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
{5-[(2-Méthyl-1H-benzimidazol-1-yl)méthyl]-1H-pyrazol-3-yl}[4-(2-pyrazinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[(2-methyl-1H-benzimidazol-1-yl)methyl]-1H-pyrazol-3-yl][4-(2-pyrazinyl)-1-piperazinyl]- [ACD/Index Name]
2-methyl-1-[(3-{[4-(2-pyrazinyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl)methyl]-1H-benzimidazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 767.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.7±32.9 °C
Index of Refraction: 1.752
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 38.90
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 81.54
Polar Surface Area: 96 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 280.2±7.0 cm3

Click to predict properties on the Chemicalize site


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