ChemSpider 2D Image | (2E)-2-(1-Methyl-1H-benzimidazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acrylonitrile | C30H27N5O

(2E)-2-(1-Methyl-1H-benzimidazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acrylonitrile

  • Molecular FormulaC30H27N5O
  • Average mass473.568 Da
  • Monoisotopic mass473.221558 Da
  • ChemSpider ID21816515

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(1-Methyl-1H-benzimidazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acrylonitril [German] [ACD/IUPAC Name]
(2E)-2-(1-Methyl-1H-benzimidazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acrylonitrile [ACD/IUPAC Name]
(2E)-2-(1-Méthyl-1H-benzimidazol-2-yl)-3-[3-(3-méthyl-4-propoxyphényl)-1-phényl-1H-pyrazol-4-yl]acrylonitrile [French] [ACD/IUPAC Name]
1H-Benzimidazole-2-acetonitrile, 1-methyl-α-[[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-, (αE)- [ACD/Index Name]
(2E)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
(2E)-2-(1-methyl-1H-benzimidazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
(2E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
(E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
1017506-98-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.9±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31261.30
ACD/KOC (pH 5.5): 56532.58
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33011.39
ACD/KOC (pH 7.4): 59697.44
Polar Surface Area: 69 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 404.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement