ChemSpider 2D Image | N-{4-Chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl}-5-[(6,7-dimethoxy-4-quinolinyl)oxy]-1H-benzimidazol-2-amine | C30H31ClN6O3

N-{4-Chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl}-5-[(6,7-dimethoxy-4-quinolinyl)oxy]-1H-benzimidazol-2-amine

  • Molecular FormulaC30H31ClN6O3
  • Average mass559.058 Da
  • Monoisotopic mass558.214600 Da
  • ChemSpider ID9482473

More details:

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

1H-Benzimidazol-2-amine, N-[4-chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl]-5-[(6,7-dimethoxy-4-quinolinyl)oxy]- [ACD/Index Name]
N-{4-Chlor-3-[(4-methyl-1-piperazinyl)methyl]phenyl}-5-[(6,7-dimethoxy-4-chinolinyl)oxy]-1H-benzimidazol-2-amin [German] [ACD/IUPAC Name]
N-{4-Chloro-3-[(4-méthyl-1-pipérazinyl)méthyl]phényl}-5-[(6,7-diméthoxy-4-quinoléinyl)oxy]-1H-benzimidazol-2-amine [French] [ACD/IUPAC Name]
N-{4-Chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl}-5-[(6,7-dimethoxy-4-quinolinyl)oxy]-1H-benzimidazol-2-amine [ACD/IUPAC Name]
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1H-benzimidazol-2-amine
[4-chloro-3-(4-methylpiperazin-1-ylmethyl)-phenyl]-[5-(6,7-dimethoxyquinolin-4-yloxy)-1H-benzimidazol-2-yl]-amine
2-aminobenzimidazole, 14
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL427837/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 728.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.2±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 11.39
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 412.11
ACD/KOC (pH 7.4): 1991.31
Polar Surface Area: 88 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 416.5±3.0 cm3

Click to predict properties on the Chemicalize site


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