ChemSpider 2D Image | (2S)-2-(2-Phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)-4-piperidinecarboxylate | C40H42N6O2

(2S)-2-(2-Phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)-4-piperidinecarboxylate

  • Molecular FormulaC40H42N6O2
  • Average mass638.800 Da
  • Monoisotopic mass638.336914 Da
  • ChemSpider ID34220348

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-Phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)-4-piperidinecarboxylate [ACD/IUPAC Name]
(2S)-2-(2-Phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethyl-1-(1-benzyl-1H-benzimidazol-2-yl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
(2s)-2-(2-Phenyl-1h-Benzimidazol-1-Yl)-2-(Piperidin-4-Yl)ethyl 1-(1-Benzyl-1h-Benzimidazol-2-Yl)piperidine-4-Carboxylate
1-(1-Benzyl-1H-benzimidazol-2-yl)-4-pipéridinecarboxylate de (2S)-2-(2-phényl-1H-benzimidazol-1-yl)-2-(4-pipéridinyl)éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[1-(phenylmethyl)-1H-benzimidazol-2-yl]-, (2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethyl ester [ACD/Index 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: 832.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 457.4±37.1 °C
Index of Refraction: 1.689
Molar Refractivity: 189.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 34.85
ACD/KOC (pH 5.5): 30.98
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 471.05
ACD/KOC (pH 7.4): 418.72
Polar Surface Area: 77 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 497.2±7.0 cm3

Click to predict properties on the Chemicalize site


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