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

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

  • Molecular FormulaC21H31N5O3
  • Average mass401.503 Da
  • Monoisotopic mass401.242676 Da
  • ChemSpider ID21633443

More details:

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

1-Piperazinecarboxylic acid, 4-[[1-methyl-5-[(1-oxopentyl)amino]-1H-benzimidazol-2-yl]methyl]-, ethyl ester [ACD/Index Name]
4-{[1-Méthyl-5-(pentanoylamino)-1H-benzimidazol-2-yl]méthyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[1-methyl-5-(pentanoylamino)-1H-benzimidazol-2-yl]methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[1-methyl-5-(pentanoylamino)-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: 623.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.9±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 112.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 17.02
ACD/KOC (pH 5.5): 189.63
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.50
ACD/KOC (pH 7.4): 596.16
Polar Surface Area: 80 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 325.2±7.0 cm3

Click to predict properties on the Chemicalize site


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