ChemSpider 2D Image | Methyl 2-(4-bromophenyl)-1-[5-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-1H-benzimidazole-5-carboxylate | C22H21BrN4O2

Methyl 2-(4-bromophenyl)-1-[5-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-1H-benzimidazole-5-carboxylate

  • Molecular FormulaC22H21BrN4O2
  • Average mass453.332 Da
  • Monoisotopic mass452.084778 Da
  • ChemSpider ID30654288

More details:

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

1H-Benzimidazole-5-carboxylic acid, 2-(4-bromophenyl)-1-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-, methyl ester [ACD/Index Name]
2-(4-Bromophényl)-1-[5-(2-méthyl-2-propanyl)-1H-pyrazol-3-yl]-1H-benzimidazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-(4-bromophenyl)-1-[5-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-1H-benzimidazole-5-carboxylate [ACD/IUPAC Name]
Methyl-2-(4-bromphenyl)-1-[5-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-carboxylat [German] [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: 629.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.3±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12971.35
ACD/KOC (pH 5.5): 30593.06
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 12975.44
ACD/KOC (pH 7.4): 30602.70
Polar Surface Area: 73 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 315.6±7.0 cm3

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