BZI

BENZIMIDAZOLE

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

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count16
Aromatic Bond Count10
2D diagram of BZI
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Chemical Component Summary

NameBENZIMIDAZOLE
Systematic Name (OpenEye OEToolkits)1H-benzimidazole
FormulaC7 H6 N2
Molecular Weight118.136
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n2c1ccccc1nc2
SMILESCACTVS3.341[nH]1cnc2ccccc12
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)[nH]cn2
Canonical SMILESCACTVS3.341 [nH]1cnc2ccccc12
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)[nH]cn2
InChIInChI1.03 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChIKeyInChI1.03 HYZJCKYKOHLVJF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02962 
NameBenzimidazole
Groups
  • experimental
  • investigational
SynonymsBenzimidazole
Categories
  • Anthelmintics
  • Anti-Infective Agents
  • Antiparasitic Agents
  • Heterocyclic Compounds, Fused-Ring
CAS number51-17-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferaseMQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...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 5798
ChEMBL CHEMBL306226
ChEBI CHEBI:41275
CCDC/CSD BZDMAZ02, BZDMAZ30, BZDMAZ29, DEJBAY, BZDMAZ, BZDMAZ01, BZDMAZ16, BZDMAZ03, BZDMAZ09, BZDMAZ10, BZDMAZ11, BZDMAZ08, BZDMAZ13, BZDMAZ15
COD 4507239, 4507238, 4507237, 2207607, 4507240, 4507232, 4507235, 4507233, 4507234, 4507243, 4507241, 4507236, 4507242