1MZ

1-METHYLIMIDAZOLE

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

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Chemical Details

Formal Charge1
Atom Count13
Chiral Atom Count0
Bond Count13
Aromatic Bond Count5
2D diagram of 1MZ
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Chemical Component Summary

Name1-METHYLIMIDAZOLE
Systematic Name (OpenEye OEToolkits)1-methylimidazol-3-ium
FormulaC4 H7 N2
Molecular Weight83.112
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04c1c[nH+]cn1C
SMILESCACTVS3.341Cn1cc[nH+]c1
SMILESOpenEye OEToolkits1.5.0Cn1cc[nH+]c1
Canonical SMILESCACTVS3.341 Cn1cc[nH+]c1
Canonical SMILESOpenEye OEToolkits1.5.0 Cn1cc[nH+]c1
InChIInChI1.03 InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1
InChIKeyInChI1.03 MCTWTZJPVLRJOU-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank IDDB02671 
Name1-Methylimidazole
Groups experimental
Synonyms1-Methylimidazole
CAS number616-47-7

Drug Targets

NameTarget SequencePharmacological ActionActions
MyoglobinMGLSDGEWQLVLNVWGKVEADIPGHGQEVLIRLFKGHPETLEKFDKFKHL...unknown
Sensor protein FixLMAPTRVTHPPDDGRGEHFRVRIEGFGVGTWDLDLKTWALDWSDTARTLLG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 59438645, 67251829, 444235
CCDC/CSD ZIDJUT, QUCLIM, LUDMUV, VUYROZ, WUFYAA, YABLUL, PABMUA, MUQTEZ, GOFQUP, ZISPUP, ZAMXIU10, MUQSUO, NILQIJ, YEXNEU01, ZAKBAR, HOTHAC, OYUYUD, WOJFUZ, ZAMXIU, KODWEI, FIVZIT, WISWUT, VUYQUE, RECSAU, HARKAO01, XOLYUU, HASNUN, HARKAO, MIMXUR, VURDES, DUZXAA, MUQTAV, QAWTIU, JIJYIN, VUQZUD, DUXJOX, DUXJUD, KEJSEY, ACINUV, SADQIB, EVIXAL, UKAXUC, NABJAF, EMUSUD, UCECUE
COD 7052840