ChemSpider 2D Image | 1-(1H-Benzimidazol-2-yl)-N-{[7-(methylsulfanyl)-2-(2-thienyl)-3-quinolinyl]methyl}ethanamine | C24H22N4S2

1-(1H-Benzimidazol-2-yl)-N-{[7-(methylsulfanyl)-2-(2-thienyl)-3-quinolinyl]methyl}ethanamine

  • Molecular FormulaC24H22N4S2
  • Average mass430.588 Da
  • Monoisotopic mass430.128601 Da
  • ChemSpider ID22135000

More details:

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

1-(1H-Benzimidazol-2-yl)-N-{[7-(methylsulfanyl)-2-(2-thienyl)-3-chinolinyl]methyl}ethanamin [German] [ACD/IUPAC Name]
1-(1H-Benzimidazol-2-yl)-N-{[7-(méthylsulfanyl)-2-(2-thiényl)-3-quinoléinyl]méthyl}éthanamine [French] [ACD/IUPAC Name]
1-(1H-Benzimidazol-2-yl)-N-{[7-(methylsulfanyl)-2-(2-thienyl)-3-quinolinyl]methyl}ethanamine [ACD/IUPAC Name]
3-Quinolinemethanamine, N-[1-(1H-benzimidazol-2-yl)ethyl]-7-(methylthio)-2-(2-thienyl)- [ACD/Index Name]
1-(1H-benzimidazol-2-yl)-N-{[7-(methylthio)-2-(2-thienyl)-3-quinolinyl]methyl}ethanamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.2±31.5 °C
Index of Refraction: 1.745
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 638.21
ACD/KOC (pH 5.5): 2259.90
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2964.21
ACD/KOC (pH 7.4): 10496.19
Polar Surface Area: 107 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 318.4±5.0 cm3

Click to predict properties on the Chemicalize site


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