ChemSpider 2D Image | 4-Pyridinylmethyl 2-butyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylate | C32H29N7O2

4-Pyridinylmethyl 2-butyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylate

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID14368079

More details:

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

1H-Benzimidazole-7-carboxylic acid, 2-butyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 4-pyridinylmethyl ester [ACD/Index Name]
2-Butyl-1-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1H-benzimidazole-7-carboxylate de 4-pyridinylméthyle [French] [ACD/IUPAC Name]
4-Pyridinylmethyl 2-butyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylate [ACD/IUPAC Name]
4-Pyridinylmethyl-2-butyl-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazol-7-carboxylat [German] [ACD/IUPAC Name]
pyridin-4-ylmethyl 2-butyl-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate
2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid pyridin-4-ylmethyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 815.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.9±37.1 °C
Index of Refraction: 1.687
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 348.29
ACD/KOC (pH 5.5): 965.87
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 77.64
ACD/KOC (pH 7.4): 215.31
Polar Surface Area: 111 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 417.7±7.0 cm3

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