ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-{[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl]amino}-1-pyrrolidinecarboxylate | C23H27FN4O2

2-Methyl-2-propanyl (3S)-3-{[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl]amino}-1-pyrrolidinecarboxylate

  • Molecular FormulaC23H27FN4O2
  • Average mass410.484 Da
  • Monoisotopic mass410.211792 Da
  • ChemSpider ID29285585

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[1-(4-Fluorobenzyl)-1H-benzimidazol-2-yl]amino}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-{[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl]amino}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-{[1-(4-fluorbenzyl)-1H-benzimidazol-2-yl]amino}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-tert-butyl 3-((1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)amino)pyrrolidine-1-carboxylate
(S)-tert-butyl-3-((1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)amino)pyrrolidine-1-carboxylate
1421046-97-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 297.9±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 114.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 349.77
ACD/KOC (pH 5.5): 1468.29
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1626.14
ACD/KOC (pH 7.4): 6826.36
Polar Surface Area: 59 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 329.0±7.0 cm3

Click to predict properties on the Chemicalize site


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