ChemSpider 2D Image | 2-{1-[3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}-1H-benzimidazole | C16H18N8

2-{1-[3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}-1H-benzimidazole

  • Molecular FormulaC16H18N8
  • Average mass322.368 Da
  • Monoisotopic mass322.165436 Da
  • ChemSpider ID29730548

More details:

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

1H-Benzimidazole, 2-[1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
2-{1-[3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{1-[3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}-1H-benzimidazole [ACD/IUPAC Name]
2-{1-[3-(3,5-Diméthyl-1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.3±34.3 °C
Index of Refraction: 1.757
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.09
ACD/KOC (pH 5.5): 152.74
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.60
ACD/KOC (pH 7.4): 162.29
Polar Surface Area: 90 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 224.2±7.0 cm3

Click to predict properties on the Chemicalize site


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