Molecular Details
DICL_CP_0317452
- 2-(4-methoxyphenyl)-5-phenyl-1H-imidazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317452
PubChem CID
Molecular Formula
C16H14N2O Molecular Weight
250.301 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
BUWHNKZFUTUGJW-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2O/c1-19-14-9-7-13(8-10-14)16-17-11-15(18-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)
IUPAC Name
2-(4-methoxyphenyl)-5-phenyl-1H-imidazole
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
33 35 0 0 0 0 0 0 0 0999 V2000
-6.6073 0.5111 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5506 0.8859 0.0373 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2005 0.563...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 8 subunit alpha
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 19600 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−100 to 10 mV mV
Temperature
20-22 ℃
Test Method
Patch-clamping
Test Species
Human Embryonic Kidney (HEK 293) cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
3
logP
3.7523
Complexity
76.0117
TPSA (Ų)
37.91
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3