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IMD : Summary
Code 
|
IMD
|
One-letter code 
|
X
|
Molecule name 
|
IMIDAZOLE
|
Systematic names 
|
|
Formula 
|
C3 H5 N2
|
Formal charge 
|
1
|
Molecular weight 
|
69.085 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
c1c[nH+]cn1 |
SMILES
|
CACTVS |
3.341 |
[nH]1cc[nH+]c1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1c[nH+]c[nH]1 |
Canonical SMILES
|
CACTVS |
3.341 |
[nH]1cc[nH+]c1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1c[nH+]c[nH]1 |
|
IUPAC InChI  | InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1 |
IUPAC InChI key  | RAXXELZNTBOGNW-UHFFFAOYSA-O |
|
wwPDB Information |
Atom count 
|
10 (5 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
|
Defined at 
|
1999-07-08
|
Last modified at 
|
2011-06-04
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Status 
|
Released
|
Obsoleted 
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Not Assigned
|
|