ChemSpider 2D Image | 2-[3-(4H-1,2,4-Triazol-4-yl)phenyl]-1H-benzimidazole | C15H11N5

2-[3-(4H-1,2,4-Triazol-4-yl)phenyl]-1H-benzimidazole

  • Molecular FormulaC15H11N5
  • Average mass261.281 Da
  • Monoisotopic mass261.101440 Da
  • ChemSpider ID24803256

More details:

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

1H-Benzimidazole, 2-[3-(4H-1,2,4-triazol-4-yl)phenyl]- [ACD/Index Name]
2-[3-(4H-1,2,4-Triazol-4-yl)phenyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[3-(4H-1,2,4-Triazol-4-yl)phenyl]-1H-benzimidazole [ACD/IUPAC Name]
2-[3-(4H-1,2,4-Triazol-4-yl)phényl]-1H-benzimidazole [French] [ACD/IUPAC Name]
2-(3-[1,2,4]Triazol-4-yl-phenyl)-1H-benzoimidazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 562.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.2±32.9 °C
Index of Refraction: 1.755
Molar Refractivity: 77.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.12
ACD/KOC (pH 5.5): 237.16
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.60
ACD/KOC (pH 7.4): 303.08
Polar Surface Area: 59 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 189.7±7.0 cm3

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