ChemSpider 2D Image | 7-Amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide | C23H28ClN5O2

7-Amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide

  • Molecular FormulaC23H28ClN5O2
  • Average mass441.954 Da
  • Monoisotopic mass441.193146 Da
  • ChemSpider ID25057671

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Benzimidazole-5-carboxamide, 7-amino-2-[[(2-chlorophenyl)methyl]amino]-1-[[(1S,2S)-2-hydroxycycloheptyl]methyl]- [ACD/Index Name]
7-Amino-2-[(2-chlorbenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazol-5-carboxamid [German] [ACD/IUPAC Name]
7-Amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide [ACD/IUPAC Name]
7-Amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]méthyl}-1H-benzimidazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.4±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 118.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 35.58
ACD/KOC (pH 5.5): 291.12
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.99
ACD/KOC (pH 7.4): 1276.21
Polar Surface Area: 119 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 306.2±7.0 cm3

Click to predict properties on the Chemicalize site


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