ChemSpider 2D Image | N-(3-Chloro-4-fluorobenzyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hex-6-yl)methyl]-1H-imidazole-4-carboxamide | C19H22ClFN4O

N-(3-Chloro-4-fluorobenzyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hex-6-yl)methyl]-1H-imidazole-4-carboxamide

  • Molecular FormulaC19H22ClFN4O
  • Average mass376.856 Da
  • Monoisotopic mass376.146606 Da
  • ChemSpider ID24627664

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Imidazole-4-carboxamide, N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hex-6-yl)methyl]- [ACD/Index Name]
N-(3-Chlor-4-fluorbenzyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hex-6-yl)methyl]-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hex-6-yl)methyl]-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-1-méthyl-N-[(3-méthyl-3-azabicyclo[3.1.0]hex-6-yl)méthyl]-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]
1173239-39-8 [RN]
N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-{[(1R,5S,6R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl}-1H-imidazole-4-carboxamide
PF 03463275
PF-03463275
PF-3463275

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

3U6T9EE6UX [DBID]
UNII:3U6T9EE6UX [DBID]
UNII-3U6T9EE6UX [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 575.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.0±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.25
Polar Surface Area: 41 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 269.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement