ChemSpider 2D Image | 6-Fluoro-2-{3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]phenyl}-1,2,3,4-tetrahydroisoquinoline | C27H28FN5

6-Fluoro-2-{3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]phenyl}-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC27H28FN5
  • Average mass441.543 Da
  • Monoisotopic mass441.232880 Da
  • ChemSpider ID115284347

More details:

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

6-Fluor-2-{3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]phenyl}-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
6-Fluoro-2-{3-[6-(4-méthyl-1-pipérazinyl)-1H-benzimidazol-2-yl]phényl}-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
6-Fluoro-2-{3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]phenyl}-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-2-[3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]phenyl]- [ACD/Index Name]
2650557-72-3 [RN]
6-fluoro-2-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenyl]-3,4-dihydro-1H-isoquinoline
NCOA4 - 9a

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.1±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.32
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 345.47
ACD/KOC (pH 7.4): 1614.12
Polar Surface Area: 38 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 350.0±3.0 cm3

Click to predict properties on the Chemicalize site


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