ChemSpider 2D Image | N-[2-(1H-Indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamide | C21H21N5O

N-[2-(1H-Indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamide

  • Molecular FormulaC21H21N5O
  • Average mass359.424 Da
  • Monoisotopic mass359.174622 Da
  • ChemSpider ID28523429

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[2-(1H-indol-3-ylmethyl)-1H-benzimidazol-6-yl]-, (2S)- [ACD/Index Name]
N-[2-(1H-Indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamide [ACD/IUPAC Name]
N-[2-(1H-Indol-3-ylmethyl)-1H-benzimidazol-6-yl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[2-(1H-Indol-3-ylméthyl)-1H-benzimidazol-6-yl]-L-prolinamide [French] [ACD/IUPAC Name]
0QY

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

Density: 1.4±0.1 g/cm3
Boiling Point: 783.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 427.6±32.9 °C
Index of Refraction: 1.762
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 10.19
ACD/KOC (pH 7.4): 104.32
Polar Surface Area: 86 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 260.8±3.0 cm3

Click to predict properties on the Chemicalize site


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