ChemSpider 2D Image | Ethyl 4-{[5-(isobutyrylamino)-1-methyl-1H-benzimidazol-2-yl]methyl}-1-piperazinecarboxylate | C20H29N5O3

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

  • Molecular FormulaC20H29N5O3
  • Average mass387.476 Da
  • Monoisotopic mass387.227051 Da
  • ChemSpider ID21633342

More details:

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

1-Piperazinecarboxylic acid, 4-[[1-methyl-5-[(2-methyl-1-oxopropyl)amino]-1H-benzimidazol-2-yl]methyl]-, ethyl ester [ACD/Index Name]
4-{[5-(Isobutyrylamino)-1-méthyl-1H-benzimidazol-2-yl]méthyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[5-(isobutyrylamino)-1-methyl-1H-benzimidazol-2-yl]methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[5-(isobutyrylamino)-1-methyl-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: 1.3±0.1 g/cm3
Boiling Point: 610.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.1±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 9.08
ACD/KOC (pH 5.5): 122.11
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.61
ACD/KOC (pH 7.4): 371.39
Polar Surface Area: 80 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 308.3±7.0 cm3

Click to predict properties on the Chemicalize site


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