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Search term: CC#Cc1cncc(c1)-c1cccc(c1)[C@@]1(N=C(C)C(N)=N1)C1CC1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine | C21H20N4

(2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine

  • Molecular FormulaC21H20N4
  • Average mass328.410 Da
  • Monoisotopic mass328.168793 Da
  • ChemSpider ID35033570

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine
(2R)-2-Cyclopropyl-5-methyl-2-{3-[5-(1-propin-1-yl)-3-pyridinyl]phenyl}-2H-imidazol-4-amin [German] [ACD/IUPAC Name]
(2R)-2-Cyclopropyl-5-methyl-2-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl}-2H-imidazol-4-amine [ACD/IUPAC Name]
(2R)-2-Cyclopropyl-5-méthyl-2-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phényl}-2H-imidazol-4-amine [French] [ACD/IUPAC Name]
2H-Imidazol-4-amine, 2-cyclopropyl-5-methyl-2-[3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl]-, (2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 15.47
ACD/KOC (pH 5.5): 121.12
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 164.38
ACD/KOC (pH 7.4): 1286.60
Polar Surface Area: 64 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 271.1±7.0 cm3

Click to predict properties on the Chemicalize site


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