Molecular Details
DICL_CP_0308411
- 3-ethyl-1H-benzimidazol-2-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308411
PubChem CID
Molecular Formula
C9H10N2O Molecular Weight
162.192 g/mol
Synonyms/Alias
[10045-45-1; 1-EBIO; 1-Ethyl-2-benzimidazoli; 1-Ethylbenzimidazoli; 1-ethyl-1H-benzo[d]imidazol-2(3H)-one; 3-ethyl-1H-benzimidazol-2-one; 1-ethyl-1;3-dihydro-2h-benzimidazol-2-one; 2H-Benzimidazol-2-o...
InChI Key
CXUCKELNYMZTRT-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)
IUPAC Name
3-ethyl-1H-benzimidazol-2-one
CAS Number
548-73-2
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
-2.6201 -1.0971 -0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2072 -0.0082 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9217 0.570...
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
Ki: >50000 nM
Kd
N/A (Not available)
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
12
Rotatable Bonds
1
logP
1.3495
Complexity
48.2327
TPSA (Ų)
37.79
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2