L0D

2-(1H-pyrazol-3-yl)-1H-benzimidazole

Created:2008-10-17
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count24
Aromatic Bond Count16
2D diagram of L0D

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Chemical Component Summary

Name2-(1H-pyrazol-3-yl)-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)2-(1H-pyrazol-3-yl)-1H-benzimidazole
FormulaC10 H8 N4
Molecular Weight184.197
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1c(cccc1)nc2c3nncc3
SMILESCACTVS3.341[nH]1ccc(n1)c2[nH]c3ccccc3n2
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3
Canonical SMILESCACTVS3.341 [nH]1ccc(n1)c2[nH]c3ccccc3n2
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3
InChIInChI1.03 InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
InChIKeyInChI1.03 IYTGPPNUOLLGBE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08065 
Name2-(1H-pyrazol-3-yl)-1H-benzimidazole
Groups experimental
Synonyms2-(1H-pyrazol-3-yl)-1H-benzimidazole

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Aurora kinase AMDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCP...unknowninhibitor
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 763936
ChEMBL CHEMBL495758