Molecular Details
DICL_CP_0312744
- 2-(6-chloro-1H-benzimidazol-2-yl)guanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312744
PubChem CID
Molecular Formula
C8H8ClN5 Molecular Weight
209.64 g/mol
Synonyms/Alias
[70590-32-8; 1-(5-Chloro-1H-benzo[d]imidazol-2-yl)guanidine; 2-(6-chloro-1H-benzimidazol-2-yl)guanidine; (5-chloro-1H-benzo[d]imidazol-2-yl)guanidine; 5-chloro-2-guanidinobenzimidazole; (5-Chloro-1H-b...
InChI Key
IFYPQHGXCVZZMW-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClN5/c9-4-1-2-5-6(3-4)13-8(12-5)14-7(10)11/h1-3H,(H5,10,11,12,13,14)
IUPAC Name
2-(6-chloro-1H-benzimidazol-2-yl)guanidine
CAS Number
70590-32-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 23 0 0 0 0 0 0 0 0999 V2000
3.7509 -0.4444 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6893 -1.3491 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4057 -0.920...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated proton channel (Hv1)
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 70000 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
Not specified
Temperature
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
1
logP
1.1212
Complexity
56.5735
TPSA (Ų)
93.08
H-Bond Donors
3
H-Bond Acceptors
2
Ring Count
2