ChemSpider 2D Image | Methyl cis-4-[2-(benzoylamino)-6-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate | C28H34N4O3

Methyl cis-4-[2-(benzoylamino)-6-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate

  • Molecular FormulaC28H34N4O3
  • Average mass474.595 Da
  • Monoisotopic mass474.263092 Da
  • ChemSpider ID28642027

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-4-[2-(Benzoylamino)-6-(1-pipéridinylméthyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[2-(benzoylamino)-6-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]-, methyl ester, cis- [ACD/Index Name]
Methyl cis-4-[2-(benzoylamino)-6-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate [ACD/IUPAC Name]
Methyl Cis-4-[2-(Benzoylamino)-6-(Piperidin-1-Ylmethyl)-1h-Benzimidazol-1-Yl]cyclohexanecarboxylate
Methyl-cis-4-[2-(benzoylamino)-6-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]cyclohexancarboxylat [German] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 616.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.6±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 5.35
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 20.07
ACD/KOC (pH 7.4): 95.16
Polar Surface Area: 74 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 371.4±7.0 cm3

Click to predict properties on the Chemicalize site


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