ChemSpider 2D Image | 4-(2-Methyl-1H-benzimidazol-1-yl)-1-(2-{4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1-piperidinyl)-1-butanone | C27H28F3N5O

4-(2-Methyl-1H-benzimidazol-1-yl)-1-(2-{4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1-piperidinyl)-1-butanone

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID68713843

More details:

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

1-Butanone, 4-(2-methyl-1H-benzimidazol-1-yl)-1-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-1-piperidinyl]- [ACD/Index Name]
4-(2-Methyl-1H-benzimidazol-1-yl)-1-(2-{4-[4-(trifluormethyl)phenyl]-1H-pyrazol-3-yl}-1-piperidinyl)-1-butanon [German] [ACD/IUPAC Name]
4-(2-Methyl-1H-benzimidazol-1-yl)-1-(2-{4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1-piperidinyl)-1-butanone [ACD/IUPAC Name]
4-(2-Méthyl-1H-benzimidazol-1-yl)-1-(2-{4-[4-(trifluorométhyl)phényl]-1H-pyrazol-3-yl}-1-pipéridinyl)-1-butanone [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: 706.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 659.82
ACD/KOC (pH 5.5): 2560.93
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2182.14
ACD/KOC (pH 7.4): 8469.48
Polar Surface Area: 67 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 370.3±7.0 cm3

Click to predict properties on the Chemicalize site


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