DMI

2,3-DIMETHYLIMIDAZOLIUM ION

Created:	1999-07-08
Last modified:	2011-06-04

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3 entries where DMI is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	5

2D diagram of DMI

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Chemical Component Summary
Name	2,3-DIMETHYLIMIDAZOLIUM ION
Systematic Name (OpenEye OEToolkits)	1,2-dimethylimidazol-3-ium
Formula	C₅ H₉ N₂
Molecular Weight	97.138
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c1c[nH+]c(n1C)C
SMILES	CACTVS	3.341	Cn1cc[nH+]c1C
SMILES	OpenEye OEToolkits	1.5.0	Cc1[nH+]ccn1C
Canonical SMILES	CACTVS	3.341	Cn1cc[nH+]c1C
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1[nH+]ccn1C
InChI	InChI	1.03	InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3/p+1
InChIKey	InChI	1.03	GIWQSPITLQVMSG-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB03789
Name	2,3-Dimethylimidazolium Ion
Groups	experimental
Synonyms	2,3-Dimethylimidazolium Ion

Related Resource References

Resource Name	Reference
PubChem	444800, 141893795
CCDC/CSD	BEPTEX, ZADKOH, HARJAN, EBEXOY, OCENUI, VURCUH, VURDAO, KODVAC, REKRUY
COD	4507672

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.