5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine

C22H21N3 — CID 164826174

IUPAC5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine
SMILESCC(C)(C)c1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H21N3/c1-22(2,3)19-15-14-18-21(24-19)25(17-12-8-5-9-13-17)20(23-18)16-10-6-4-7-11-16/h4-15H,1-3H3
InChIKeyFOVLJDYULQIATL-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.39
Rot. Bonds2

About 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine

5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine (PubChem CID 164826174) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine
PubChem CID164826174
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine
SMILESCC(C)(C)c1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H21N3/c1-22(2,3)19-15-14-18-21(24-19)25(17-12-8-5-9-13-17)20(23-18)16-10-6-4-7-11-16/h4-15H,1-3H3
InChIKeyFOVLJDYULQIATL-UHFFFAOYSA-N
XLogP5.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,2-diphenylbenzimidazole
CID 45104351
5-tert-butyl-3-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826330
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
3-phenoxy-2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 68997543
7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one
CID 1490401
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887
[4-[5-(5-fluoro-2-pyridinyl)-2-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495415
5-methyl-2-phenyl-1-pyridin-4-ylbenzimidazole
CID 59593987
ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068731

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine?
The IUPAC name of 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine (CID 164826174) is 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine?
The canonical SMILES for 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine is CC(C)(C)c1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine?
The InChIKey is FOVLJDYULQIATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-22(2,3)19-15-14-18-21(24-19)25(17-12-8-5-9-13-17)20(23-18)16-10-6-4-7-11-16/h4-15H,1-3H3.
What are the key properties of 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine?
5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine has a molecular weight of 327.43 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 164826174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).