ChemSpider 2D Image | 1-(1-{1-[(1-Ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)urea | C22H29N7O2

1-(1-{1-[(1-Ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)urea

  • Molecular FormulaC22H29N7O2
  • Average mass423.511 Da
  • Monoisotopic mass423.238281 Da
  • ChemSpider ID22522848

More details:

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

1-(1-{1-[(1-Ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)harnstoff [German] [ACD/IUPAC Name]
1-(1-{1-[(1-Ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)urea [ACD/IUPAC Name]
1-(1-{1-[(1-Éthyl-1H-imidazol-2-yl)méthyl]-4-pipéridinyl}-1H-pyrazol-5-yl)-3-(2-méthoxyphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[1-[1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl]-1H-pyrazol-5-yl]-N'-(2-methoxyphenyl)- [ACD/Index Name]
3-(1-{1-[(1-ETHYL-1H-IMIDAZOL-2-YL)METHYL]PIPERIDIN-4-YL}-1H-PYRAZOL-5-YL)-1-(2-METHOXYPHENYL)UREA
3-(2-{1-[(1-ETHYLIMIDAZOL-2-YL)METHYL]PIPERIDIN-4-YL}PYRAZOL-3-YL)-1-(2-METHOXYPHENYL)UREA
N-(1-{1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-N'-(2-methoxyphenyl)urea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.6±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 5.08
ACD/KOC (pH 7.4): 61.06
Polar Surface Area: 89 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 325.7±7.0 cm3

Click to predict properties on the Chemicalize site


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