ChemSpider 2D Image | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | C21H23FN4O2

2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE

  • Molecular FormulaC21H23FN4O2
  • Average mass382.431 Da
  • Monoisotopic mass382.180511 Da
  • ChemSpider ID21395491

More details:

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

1H-Benzimidazole-5-carboximidamide, 6-fluoro-2-[2-hydroxy-3-[[(1S,2S)-2-methylcyclohexyl]oxy]phenyl]- [ACD/Index Name]
2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
2-{5-[Ammonio(imino)methyl]-6-fluor-1H-benzimidazol-2-yl}-6-{[(1S,2S)-2-methylcyclohexyl]oxy}phenolat [German] [ACD/IUPAC Name]
2-{5-[Ammonio(imino)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-{[(1S,2S)-2-methylcyclohexyl]oxy}phenolate [ACD/IUPAC Name]
2-{5-[Ammonio(imino)méthyl]-6-fluoro-1H-benzimidazol-2-yl}-6-{[(1S,2S)-2-méthylcyclohexyl]oxy}phénolate [French] [ACD/IUPAC Name]
6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohexyl]oxy}phenyl)-1H-1,3-benzodiazole-5-carboximidamide
6-Fluoro-2-[2-hydroxy-3-((S)-2-methyl-cyclohexyloxy)-phenyl]-1H-benzoimidazole-5-carboxamidine
CHEMBL62807
CRA_11092
CRA-11092

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

Density:
Boiling Point: 602.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 318.4±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 19.42
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 11.65
Polar Surface Area: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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