ChemSpider 2D Image | 1,7'-Dimethyl-2'-propyl-3'-(2-{4-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}ethyl)-1H,3'H-2,5'-bibenzimidazole | C30H32N8O

1,7'-Dimethyl-2'-propyl-3'-(2-{4-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}ethyl)-1H,3'H-2,5'-bibenzimidazole

  • Molecular FormulaC30H32N8O
  • Average mass520.628 Da
  • Monoisotopic mass520.269897 Da
  • ChemSpider ID24632034

More details:

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

1,7'-Dimethyl-2'-propyl-3'-(2-{4-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}ethyl)-1H,3'H-2,5'-bibenzimidazol [German] [ACD/IUPAC Name]
1,7'-Dimethyl-2'-propyl-3'-(2-{4-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}ethyl)-1H,3'H-2,5'-bibenzimidazole [ACD/IUPAC Name]
1,7'-Diméthyl-2'-propyl-3'-(2-{4-[2-(1H-tétrazol-5-yl)éthyl]phénoxy}éthyl)-1H,3'H-2,5'-bibenzimidazole [French] [ACD/IUPAC Name]
2,6'-Bi-1H-benzimidazole, 1,4'-dimethyl-2'-propyl-1'-[2-[4-[2-(1H-tetrazol-5-yl)ethyl]phenoxy]ethyl]- [ACD/Index 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: 810.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 444.1±37.1 °C
Index of Refraction: 1.694
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1165.58
ACD/KOC (pH 5.5): 3152.14
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 109.42
ACD/KOC (pH 7.4): 295.91
Polar Surface Area: 99 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 397.4±7.0 cm3

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