ChemSpider 2D Image | N,N-Dimethyl-4-{3-[4-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline | C27H29N7

N,N-Dimethyl-4-{3-[4-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline

  • Molecular FormulaC27H29N7
  • Average mass451.566 Da
  • Monoisotopic mass451.248444 Da
  • ChemSpider ID24715862

More details:

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

Benzenamine, N,N-dimethyl-4-[3-[4-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]- [ACD/Index Name]
N,N-Dimethyl-4-{3-[4-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}anilin [German] [ACD/IUPAC Name]
N,N-Dimethyl-4-{3-[4-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline [ACD/IUPAC Name]
N,N-Diméthyl-4-{3-[4-(4-méthyl-1-pipérazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514484/
indazole-benzimidazole, 16

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.7±35.7 °C
Index of Refraction: 1.718
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 24.05
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 225.68
ACD/KOC (pH 7.4): 1312.29
Polar Surface Area: 67 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 352.6±3.0 cm3

Click to predict properties on the Chemicalize site


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