ChemSpider 2D Image | 4-Cyano-N-{5-[(cyclohexylcarbonyl)(methyl)amino]-1-[3-(4-methyl-1-piperazinyl)propyl]-1H-benzimidazol-2-yl}benzamide | C31H39N7O2

4-Cyano-N-{5-[(cyclohexylcarbonyl)(methyl)amino]-1-[3-(4-methyl-1-piperazinyl)propyl]-1H-benzimidazol-2-yl}benzamide

  • Molecular FormulaC31H39N7O2
  • Average mass541.687 Da
  • Monoisotopic mass541.316528 Da
  • ChemSpider ID24719806

More details:

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

4-Cyan-N-{5-[(cyclohexylcarbonyl)(methyl)amino]-1-[3-(4-methyl-1-piperazinyl)propyl]-1H-benzimidazol-2-yl}benzamid [German] [ACD/IUPAC Name]
4-Cyano-N-{5-[(cyclohexylcarbonyl)(methyl)amino]-1-[3-(4-methyl-1-piperazinyl)propyl]-1H-benzimidazol-2-yl}benzamide [ACD/IUPAC Name]
4-Cyano-N-{5-[(cyclohexylcarbonyl)(méthyl)amino]-1-[3-(4-méthyl-1-pipérazinyl)propyl]-1H-benzimidazol-2-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-cyano-N-[5-[(cyclohexylcarbonyl)methylamino]-1-[3-(4-methyl-1-piperazinyl)propyl]-1H-benzimidazol-2-yl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 157.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.43
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 47.19
ACD/KOC (pH 7.4): 364.85
Polar Surface Area: 98 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 430.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement