Molecular Details
DICL_CP_0333504
- 1-benzyl-N-(furan-2-ylmethyl)-5-methylbenzimidazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0333504
PubChem CID
Molecular Formula
C20H19N3O Molecular Weight
317.392 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
BBRUEXLILLNUFR-UHFFFAOYSA-N
InChI
InChI=1S/C20H19N3O/c1-15-9-10-19-18(12-15)22-20(21-13-17-8-5-11-24-17)23(19)14-16-6-3-2-4-7-16/h2-12...
IUPAC Name
1-benzyl-N-(furan-2-ylmethyl)-5-methylbenzimidazol-2-amine
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
43 46 0 0 0 0 0 0 0 0999 V2000
-0.7854 5.4085 -0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7499 3.9476 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6361 3.420...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 5
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 670 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 specified
Temperature
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Calcium ion)
Test Species
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
24
Rotatable Bonds
5
logP
4.5981
Complexity
96.0487
TPSA (Ų)
42.99
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4