Molecular Details
DICL_CP_0328725
- 1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0328725
PubChem CID
Molecular Formula
C19H17N3O Molecular Weight
303.365 g/mol
Synonyms/Alias
[831234-13-0; AC1903; 1-benzyl-N-[(furan-2-yl)methyl]-1H-13-benzodiazol-2-amine; 1-benzyl-N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine; 1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine; MLS000084083;...
InChI Key
OECUWHDVQIITIS-UHFFFAOYSA-N
InChI
InChI=1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13...
IUPAC Name
1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
CAS Number
831234-13-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
40 43 0 0 0 0 0 0 0 0999 V2000
-1.4802 -2.3302 -2.5991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6813 -0.9483 -2.6457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8002 -0.216...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 6
Uniprot Accession Number
Function
Inactive
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
No effect
Experimental Conditions
pH
pH 7.4
Holding Potential
−60 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 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
23
Rotatable Bonds
5
logP
4.2897
Complexity
91.3117
TPSA (Ų)
42.99
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4