TJ8

2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

Created:	2020-12-22
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where TJ8 is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	17

2D diagram of TJ8

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Synonyms	LvD1009
Systematic Name (OpenEye OEToolkits)	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula	C₁₆ H₁₁ Br N₂ O
Molecular Weight	327.175
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Brc1cc(ccc1C=O)n2ccnc2c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O
Canonical SMILES	CACTVS	3.385	Brc1cc(ccc1C=O)n2ccnc2c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O
InChI	InChI	1.03	InChI=1S/C16H11BrN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
InChIKey	InChI	1.03	XAZQMNNYMHQXBB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156022765

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.