ChemSpider 2D Image | N-(1H-Benzimidazol-2-ylmethyl)-1-[6-(1H-imidazol-1-yl)-3-pyridazinyl]-3-piperidinecarboxamide | C21H22N8O

N-(1H-Benzimidazol-2-ylmethyl)-1-[6-(1H-imidazol-1-yl)-3-pyridazinyl]-3-piperidinecarboxamide

  • Molecular FormulaC21H22N8O
  • Average mass402.452 Da
  • Monoisotopic mass402.191650 Da
  • ChemSpider ID26305261

More details:

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

3-Piperidinecarboxamide, N-(1H-benzimidazol-2-ylmethyl)-1-[6-(1H-imidazol-1-yl)-3-pyridazinyl]- [ACD/Index Name]
N-(1H-Benzimidazol-2-ylmethyl)-1-[6-(1H-imidazol-1-yl)-3-pyridazinyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(1H-Benzimidazol-2-ylmethyl)-1-[6-(1H-imidazol-1-yl)-3-pyridazinyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
N-(1H-Benzimidazol-2-ylméthyl)-1-[6-(1H-imidazol-1-yl)-3-pyridazinyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1286719-08-1 [RN]
N-((1H-benzo[d]imidazol-2-yl)methyl)-1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperidine-3-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 856.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 471.5±34.3 °C
Index of Refraction: 1.765
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 45.41
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 84.08
Polar Surface Area: 105 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 275.0±7.0 cm3

Click to predict properties on the Chemicalize site


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