ChemSpider 2D Image | 2-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(1-methyl-1H-benzimidazol-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline | C26H28N6

2-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(1-methyl-1H-benzimidazol-2-yl)-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC26H28N6
  • Average mass424.541 Da
  • Monoisotopic mass424.237549 Da
  • ChemSpider ID22248136

More details:

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

1H-Pyrido[3,4-b]indole, 2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1-(1-methyl-1H-benzimidazol-2-yl)- [ACD/Index Name]
2-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(1-methyl-1H-benzimidazol-2-yl)-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
2-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(1-methyl-1H-benzimidazol-2-yl)-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
2-[(1-Éthyl-3-méthyl-1H-pyrazol-4-yl)méthyl]-1-(1-méthyl-1H-benzimidazol-2-yl)-2,3,4,9-tétrahydro-1H-β-carboline [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: 667.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.5±31.5 °C
Index of Refraction: 1.718
Molar Refractivity: 127.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 50.43
ACD/KOC (pH 5.5): 259.76
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 700.08
ACD/KOC (pH 7.4): 3605.74
Polar Surface Area: 55 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 323.6±7.0 cm3

Click to predict properties on the Chemicalize site


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