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Search term: OKZJGDJSXQYNID-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-[{[(5-Chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]amino}(1-cyclopentyl-4-piperidinyl)methyl]-3-biphenylcarbonitrile | C32H33ClFN5

4'-[{[(5-Chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]amino}(1-cyclopentyl-4-piperidinyl)methyl]-3-biphenylcarbonitrile

  • Molecular FormulaC32H33ClFN5
  • Average mass542.089 Da
  • Monoisotopic mass541.240845 Da
  • ChemSpider ID9493674

More details:

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

[1,1'-Biphenyl]-3-carbonitrile, 4'-[[[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]amino](1-cyclopentyl-4-piperidinyl)methyl]- [ACD/Index Name]
4'-[{[(5-Chlor-6-fluor-1H-benzimidazol-2-yl)methyl]amino}(1-cyclopentyl-4-piperidinyl)methyl]-3-biphenylcarbonitril [German] [ACD/IUPAC Name]
4'-[{[(5-Chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]amino}(1-cyclopentyl-4-piperidinyl)methyl]-3-biphenylcarbonitrile [ACD/IUPAC Name]
4'-[{[(5-Chloro-6-fluoro-1H-benzimidazol-2-yl)méthyl]amino}(1-cyclopentyl-4-pipéridinyl)méthyl]-3-biphénylcarbonitrile [French] [ACD/IUPAC Name]
4'-[{[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]amino}(1-cyclopentylpiperidin-4-yl)methyl]biphenyl-3-carbonitrile
4'-[[(6-chloro-5-fluoro-1H-benzoimidazol-2-ylmethyl)-amino]-(1-cyclopentyl-piperidin-4-yl)-methyl]-biphenyl-3-carbonitrile
CHEMBL379789
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL379789/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 394.9±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 9.82
ACD/KOC (pH 5.5): 16.35
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 244.80
ACD/KOC (pH 7.4): 407.60
Polar Surface Area: 68 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 412.2±5.0 cm3

Click to predict properties on the Chemicalize site


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