ChemSpider 2D Image | 4-[6-(1H-Imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile | C22H17N5O

4-[6-(1H-Imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile

  • Molecular FormulaC22H17N5O
  • Average mass367.403 Da
  • Monoisotopic mass367.143311 Da
  • ChemSpider ID23307847

More details:






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

4-[6-(1H-Imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitril [German] [ACD/IUPAC Name]
4-[6-(1H-Imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile [ACD/IUPAC Name]
4-[6-(1H-Imidazol-1-ylméthyl)-7-méthoxy-2,4-dihydroindéno[1,2-c]pyrazol-3-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2,4-dihydro-6-(1H-imidazol-1-ylmethyl)-7-methoxyindeno[1,2-c]pyrazol-3-yl]- [ACD/Index Name]
4-(6-imidazol-1-ylmethyl-7-methoxy-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-benzonitrile
CHEMBL247396
HK5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 699.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.9±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 20.20
ACD/KOC (pH 5.5): 139.54
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 250.74
ACD/KOC (pH 7.4): 1732.23
Polar Surface Area: 80 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 271.3±7.0 cm3

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