ChemSpider 2D Image | 4-{2-[(1S)-1-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide | C26H31N5O2

4-{2-[(1S)-1-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide

  • Molecular FormulaC26H31N5O2
  • Average mass445.557 Da
  • Monoisotopic mass445.247772 Da
  • ChemSpider ID35035096

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-{2-[(1S)-1-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamid [German] [ACD/IUPAC Name]
4-{2-[(1S)-1-({[trans-4-(Aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide [ACD/IUPAC Name]
4-{2-[(1S)-1-({[trans-4-(Aminométhyl)cyclohexyl]carbonyl}amino)-2-phényléthyl]-1H-imidazol-4-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[2-[(1S)-1-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-2-phenylethyl]-1H-imidazol-4-yl]- [ACD/Index Name]
39D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 804.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 440.1±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 365.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement