2MZ
2-METHYLIMIDAZOLE
Created: | 1999-07-08 |
Last modified: | 2011-06-04 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 12 |
Chiral Atom Count | 0 |
Bond Count | 12 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
---|---|
Name | 2-METHYLIMIDAZOLE |
Systematic Name (OpenEye OEToolkits) | 2-methyl-1H-imidazole |
Formula | C4 H6 N2 |
Molecular Weight | 82.104 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1ccnc1C |
SMILES | CACTVS | 3.341 | Cc1[nH]ccn1 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1[nH]ccn1 |
Canonical SMILES | CACTVS | 3.341 | Cc1[nH]ccn1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | Cc1[nH]ccn1 |
InChI | InChI | 1.03 | InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6) |
InChIKey | InChI | 1.03 | LXBGSDVWAMZHDD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 12749 |
ChEMBL | CHEMBL293391 |
CCDC/CSD | BUSJOR, ASIPIB |
COD | 1519948 |