ChemSpider 2D Image | Ethyl 4-{[1-ethyl-5-(isobutyrylamino)-1H-benzimidazol-2-yl]methyl}-1-piperazinecarboxylate | C21H31N5O3

Ethyl 4-{[1-ethyl-5-(isobutyrylamino)-1H-benzimidazol-2-yl]methyl}-1-piperazinecarboxylate

  • Molecular FormulaC21H31N5O3
  • Average mass401.503 Da
  • Monoisotopic mass401.242676 Da
  • ChemSpider ID21907232

More details:

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

1-Piperazinecarboxylic acid, 4-[[1-ethyl-5-[(2-methyl-1-oxopropyl)amino]-1H-benzimidazol-2-yl]methyl]-, ethyl ester [ACD/Index Name]
4-{[1-Éthyl-5-(isobutyrylamino)-1H-benzimidazol-2-yl]méthyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[1-ethyl-5-(isobutyrylamino)-1H-benzimidazol-2-yl]methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[1-ethyl-5-(isobutyrylamino)-1H-benzimidazol-2-yl]methyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.9±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 17.50
ACD/KOC (pH 5.5): 187.40
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.25
ACD/KOC (pH 7.4): 655.84
Polar Surface Area: 80 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 324.3±7.0 cm3

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