PIM

4-PHENYL-1H-IMIDAZOLE

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

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count20
Aromatic Bond Count12
2D diagram of PIM

Chemical Component Summary

Name4-PHENYL-1H-IMIDAZOLE
Systematic Name (OpenEye OEToolkits)4-phenyl-3H-imidazole
FormulaC9 H8 N2
Molecular Weight144.173
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n2cc(c1ccccc1)nc2
SMILESCACTVS3.341[nH]1cncc1c2ccccc2
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2cnc[nH]2
Canonical SMILESCACTVS3.341 [nH]1cncc1c2ccccc2
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)c2cnc[nH]2
InChIInChI1.03 InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
InChIKeyInChI1.03 XHLKOHSAWQPOFO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03254 
Name4-Phenyl-1h-Imidazole
Groups experimental
Synonyms4-Phenyl-1h-Imidazole

Drug Targets

NameTarget SequencePharmacological ActionActions
Putative cytochrome P450MTEETISQAVPPVRDWPAVDLPGSDFDPVLTELMREGPVTRISLPNGEGW...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 69590
ChEMBL CHEMBL14145
CCDC/CSD NENJOF06, NENJOF04, NENJOF03, NENJOF07, NENJOF05, NENJOF, NENJOF01, NENJOF02, BAMZAU
COD 8100968, 2014283