ChemSpider 2D Image | 1-Benzyl-5-chloro-2-{[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole | C21H20ClN5S

1-Benzyl-5-chloro-2-{[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole

  • Molecular FormulaC21H20ClN5S
  • Average mass409.935 Da
  • Monoisotopic mass409.112793 Da
  • ChemSpider ID30045991

More details:

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

1-Benzyl-5-chlor-2-{[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
1-Benzyl-5-chloro-2-{[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole [ACD/IUPAC Name]
1-Benzyl-5-chloro-2-{[(5-cyclopropyl-4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]méthyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
1H-Benzimidazole, 5-chloro-2-[[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-1-(phenylmethyl)- [ACD/Index 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: 663.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.9±34.3 °C
Index of Refraction: 1.743
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2321.47
ACD/KOC (pH 5.5): 8883.94
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2362.74
ACD/KOC (pH 7.4): 9041.88
Polar Surface Area: 74 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 286.6±7.0 cm3

Click to predict properties on the Chemicalize site


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