Molecular Details
DICL_CP_0306994
- 4,5-dihydro-1H-imidazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0306994
PubChem CID
Molecular Formula
C3H6N2 Molecular Weight
70.095 g/mol
Synonyms/Alias
[imidazoline; 4;5-Dihydro-1H-imidazole; 2-Imidazoline; 504-75-6; 1H-Imidazole; 4;5-dihydro-; D36R5YLK6R; 28299-33-4; 1H-Imidazole; dihydro-; UNII-D36R5YLK6R; EINECS 207-999-4; 4;5-dihydroimidazole; CO...
InChI Key
MTNDZQHUAFNZQY-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N2/c1-2-5-3-4-1/h3H,1-2H2,(H,4,5)
IUPAC Name
4,5-dihydro-1H-imidazole
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
11 11 0 0 0 0 0 0 0 0999 V2000
-0.4353 -0.8394 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0323 0.5713 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1133 1.473...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 4000 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
37 °C
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
5
Rotatable Bonds
0
logP
-0.3821
Complexity
21.3617
TPSA (Ų)
24.39
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
1