Molecular Details
DICL_CP_0307700
- 5-phenyl-1H-imidazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307700
PubChem CID
Molecular Formula
C9H8N2 Molecular Weight
144.177 g/mol
Synonyms/Alias
[4-Phenylimidazole; 670-95-1; 4-PHENYL-1H-IMIDAZOLE; 5-Phenyl-1H-imidazole; 1H-Imidazole; 4-phenyl-; 4(5)-Phenylimidazole; Imidazole; 4-phenyl-; 5-phenylimidazole; MFCD00005197; NSC-195337; CHEMBL1414...
InChI Key
XHLKOHSAWQPOFO-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
IUPAC Name
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
19 20 0 0 0 0 0 0 0 0999 V2000
-2.7631 1.1500 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6534 1.9703 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3760 1.411...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
66% inhibition at 1000 μM
Experimental Conditions
pH
pH 7.6
Holding Potential
−60 mV mV
Temperature
25–29 °C
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
11
Rotatable Bonds
1
logP
2.0767
Complexity
44.0237
TPSA (Ų)
28.68
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2