ChemSpider 2D Image | Benzyl (2R)-2-(4-carbamoyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinecarboxylate | C21H22N4O3

Benzyl (2R)-2-(4-carbamoyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinecarboxylate

  • Molecular FormulaC21H22N4O3
  • Average mass378.424 Da
  • Monoisotopic mass378.169189 Da
  • ChemSpider ID28536607
  • defined stereocentres - 1 of 1 defined stereocentres


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

(2R)-2-(4-Carbamoyl-1H-benzimidazol-2-yl)-2-méthyl-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[7-(aminocarbonyl)-1H-benzimidazol-2-yl]-2-methyl-, phenylmethyl ester, (2R)- [ACD/Index Name]
Benzyl (2R)-2-(4-carbamoyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2R)-2-(4-carbamoyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(R)-Benzyl 2-(7-carbamoyl-1H-benzo[d]imidazol-2-yl)-2-methylpyrrolidine-1-carboxylate
(R)-benzyl-2-(7-carbamoyl-1H-benzo[d]imidazol-2-yl)-2-methylpyrrolidine-1-carboxylate
[912444-73-6]
912444-73-6 [RN]
Benzyl (2R)-2-(4-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidine-1-carboxylate
benzyl (R)-2-(7-carbamoyl-1H-benzo[d]imidazol-2-yl)-2-methylpyrrolidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 368.0±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 22.34
ACD/KOC (pH 5.5): 310.46
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.10
ACD/KOC (pH 7.4): 348.82
Polar Surface Area: 101 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 285.1±3.0 cm3

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