ChemSpider 2D Image | 1-[3-(4-tert-Butylphenoxy)propyl]-2-[(E)-2-(4-chlorophenyl)vinyl]-1H-benzimidazole | C28H29ClN2O

1-[3-(4-tert-Butylphenoxy)propyl]-2-[(E)-2-(4-chlorophenyl)vinyl]-1H-benzimidazole

  • Molecular FormulaC28H29ClN2O
  • Average mass444.996 Da
  • Monoisotopic mass444.196838 Da
  • ChemSpider ID23438722

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[3-(4-tert-Butylphenoxy)propyl]-2-[(E)-2-(4-chlorophenyl)vinyl]-1H-benzimidazole
1H-Benzimidazole, 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[3-[4-(1,1-dimethylethyl)phenoxy]propyl]- [ACD/Index Name]
2-[(E)-2-(4-Chlorophenyl)vinyl]-1-{3-[4-(2-methyl-2-propanyl)phenoxy]propyl}-1H-benzimidazole [ACD/IUPAC Name]
2-[(E)-2-(4-Chlorophényl)vinyl]-1-{3-[4-(2-méthyl-2-propanyl)phénoxy]propyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
2-[(E)-2-(4-Chlorphenyl)vinyl]-1-{3-[4-(2-methyl-2-propanyl)phenoxy]propyl}-1H-benzimidazol [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 134.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 292481.75
ACD/KOC (pH 5.5): 266013.91
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 369606.00
ACD/KOC (pH 7.4): 336158.88
Polar Surface Area: 27 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 403.0±7.0 cm3

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