ChemSpider 2D Image | 1-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(5-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylurea | C17H21FN6O

1-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(5-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylurea

  • Molecular FormulaC17H21FN6O
  • Average mass344.387 Da
  • Monoisotopic mass344.176086 Da
  • ChemSpider ID57633786

More details:

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

1-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(5-fluor-1H-benzimidazol-2-yl)methyl]-1-methylharnstoff [German] [ACD/IUPAC Name]
1-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(5-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylurea [ACD/IUPAC Name]
1-[2-(3,5-Diméthyl-1H-pyrazol-4-yl)éthyl]-3-[(5-fluoro-1H-benzimidazol-2-yl)méthyl]-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[(5-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl- [ACD/Index Name]
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N'-[(5-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylurea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 16.92
ACD/KOC (pH 5.5): 224.82
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.32
ACD/KOC (pH 7.4): 389.44
Polar Surface Area: 90 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 259.6±3.0 cm3

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