Molecular Details
DICL_CP_0314949
- 2-[1-(2-prop-2-enylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314949
PubChem CID
Molecular Formula
C14H18N2O Molecular Weight
230.311 g/mol
Synonyms/Alias
[allyphenyline; CHEMBL495095; 1043533-91-0; BDBM50412245; 2-(1-(2-allylphenoxy)ethyl)-4;5-dihydro-1h-imidazole; 2-[1-(2-prop-2-enylphenoxy)ethyl]-4;5-dihydro-1H-imidazole]
InChI Key
MNMDMCKHXVHLAW-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,1...
IUPAC Name
2-[1-(2-prop-2-enylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CAS Number
1043533-91-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 18 0 0 0 0 0 0 0 0999 V2000
1.7630 -3.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3289 -1.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3554 -0...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated inwardly rectifying potassium channel KCNH2
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 16700 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
5
logP
2.1841
Complexity
70.7377
TPSA (Ų)
33.62
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2