ChemSpider 2D Image | [3-(1H-Benzimidazol-2-yl)-1-piperidinyl]{1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl}methanone | C22H29N7O

[3-(1H-Benzimidazol-2-yl)-1-piperidinyl]{1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl}methanone

  • Molecular FormulaC22H29N7O
  • Average mass407.512 Da
  • Monoisotopic mass407.243347 Da
  • ChemSpider ID22145520

More details:

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

[3-(1H-Benzimidazol-2-yl)-1-piperidinyl]{1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl}methanon [German] [ACD/IUPAC Name]
[3-(1H-Benzimidazol-2-yl)-1-piperidinyl]{1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl}methanone [ACD/IUPAC Name]
[3-(1H-Benzimidazol-2-yl)-1-pipéridinyl]{1-[2-(1-pipéridinyl)éthyl]-1H-1,2,3-triazol-4-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(1H-benzimidazol-2-yl)-1-piperidinyl][1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
2-[1-({1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl}carbonyl)-3-piperidinyl]-1H-benzimidazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.5±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.28
Polar Surface Area: 83 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 292.4±7.0 cm3

Click to predict properties on the Chemicalize site


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