ChemSpider 2D Image | 2-({4-[4-(4-Fluorophenyl)-1-(1-methyl-4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}amino)ethanol | C21H25FN6O

2-({4-[4-(4-Fluorophenyl)-1-(1-methyl-4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}amino)ethanol

  • Molecular FormulaC21H25FN6O
  • Average mass396.461 Da
  • Monoisotopic mass396.207397 Da
  • ChemSpider ID23184695

More details:

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

2-({4-[4-(4-Fluorophenyl)-1-(1-methyl-4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}amino)ethanol [ACD/IUPAC Name]
2-({4-[4-(4-Fluorophényl)-1-(1-méthyl-4-pipéridinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}amino)éthanol [French] [ACD/IUPAC Name]
2-({4-[4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)ethanol
2-({4-[4-(4-Fluorphenyl)-1-(1-methyl-4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl}amino)ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[4-[4-(4-fluorophenyl)-1-(1-methyl-4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinyl]amino]- [ACD/Index Name]
2-{4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamino}-ethanol
CHEMBL330422
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL330422/
SB-226879

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.5±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 27.35
Polar Surface Area: 79 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 296.1±7.0 cm3

Click to predict properties on the Chemicalize site


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