ChemSpider 2D Image | 4-{2-[3-(3-Chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid | C29H23ClN6O2

4-{2-[3-(3-Chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid

  • Molecular FormulaC29H23ClN6O2
  • Average mass522.985 Da
  • Monoisotopic mass522.157104 Da
  • ChemSpider ID34524021

More details:

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

4-{2-[3-(3-Chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid [ACD/IUPAC Name]
4-{2-[3-(3-Chlorphenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{2-[5-(3-Chlorophenyl)-1h-Pyrazol-4-Yl]-1-[3-(1h-Imidazol-1-Yl)propyl]-1h-Benzimidazol-5-Yl}benzoic Acid
Acide 4-{2-[3-(3-chlorophényl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[3-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl]- [ACD/Index Name]
0OE
1428556-12-0 [RN]
Benzimidazole Inhibitor, 4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 888.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.3±37.1 °C
Index of Refraction: 1.723
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 50.28
ACD/KOC (pH 5.5): 122.39
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 19.73
ACD/KOC (pH 7.4): 48.03
Polar Surface Area: 102 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 371.9±7.0 cm3

Click to predict properties on the Chemicalize site


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