ChemSpider 2D Image | 1-Ethyl-3'-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-5'-phenyl-1H,3'H-2,4'-biimidazole | C20H22N6S

1-Ethyl-3'-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-5'-phenyl-1H,3'H-2,4'-biimidazole

  • Molecular FormulaC20H22N6S
  • Average mass378.494 Da
  • Monoisotopic mass378.162659 Da
  • ChemSpider ID29566459

More details:

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

1-Ethyl-3'-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-5'-phenyl-1H,3'H-2,4'-biimidazol [German] [ACD/IUPAC Name]
1-Ethyl-3'-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-5'-phenyl-1H,3'H-2,4'-biimidazole [ACD/IUPAC Name]
1-Éthyl-3'-{2-[(1-méthyl-1H-imidazol-2-yl)sulfanyl]éthyl}-5'-phényl-1H,3'H-2,4'-biimidazole [French] [ACD/IUPAC Name]
1H-Imidazole, 2-[[2-(1-ethyl-4'-phenyl[2,5'-bi-1H-imidazol]-1'-yl)ethyl]thio]-1-methyl- [ACD/Index Name]
1-ethyl-3'-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-5'-phenyl-1H,3'H-2,4'-biimidazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.3±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 113.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 10.16
ACD/KOC (pH 5.5): 82.08
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 151.17
ACD/KOC (pH 7.4): 1220.83
Polar Surface Area: 79 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 299.7±7.0 cm3

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