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

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

  • Molecular FormulaC21H20ClN5S
  • Average mass409.935 Da
  • Monoisotopic mass409.112793 Da
  • ChemSpider ID30044676

More details:

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

1H-Benzimidazole, 5-chloro-2-[[[5-methyl-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1-(phenylmethyl)- [ACD/Index Name]
2-{[(4-Allyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1-benzyl-5-chlor-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{[(4-Allyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1-benzyl-5-chloro-1H-benzimidazole [ACD/IUPAC Name]
2-{[(4-Allyl-5-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]méthyl}-1-benzyl-5-chloro-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.2±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 118.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6174.23
ACD/KOC (pH 5.5): 17888.34
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6289.88
ACD/KOC (pH 7.4): 18223.43
Polar Surface Area: 74 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 314.2±7.0 cm3

Click to predict properties on the Chemicalize site


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