Molecular Details
DICL_CP_0314238
- N-benzyl-1H-benzimidazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314238
PubChem CID
Molecular Formula
C14H13N3 Molecular Weight
223.279 g/mol
Synonyms/Alias
[27185-21-3; (1H-Benzoimidazol-2-yl)-benzyl-amine; N-Benzyl-1H-benzimidazol-2-amine; N-benzyl-1H-1;3-benzodiazol-2-amine; 2-benzylaminobenzimidazole; N-benzyl-1H-benzo[d]imidazol-2-amine; CHEMBL456446...
InChI Key
FXMPPQGQNSTUGE-UHFFFAOYSA-N
InChI
InChI=1S/C14H13N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H2,15,16,17)
IUPAC Name
N-benzyl-1H-benzimidazol-2-amine
CAS Number
1357920-84-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 32 0 0 0 0 0 0 0 0999 V2000
-5.4327 -0.1778 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7111 -1.3653 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3485 -1.323...
Experimental Data
Activity Data
Target Ion Channel
Small conductance Calcium activated potassium channel protein 3
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: 2700 nM
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−50 mV mV
Temperature
∼24 °C
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
17
Rotatable Bonds
3
logP
3.175
Complexity
69.8624
TPSA (Ų)
40.71
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
3