2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine

C17H16F3N3 — CID 117166513

IUPAC2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1nc2cccnc2n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3N3/c1-16(2,3)15-22-12-8-6-10-21-14(12)23(15)13-9-5-4-7-11(13)17(18,19)20/h4-10H,1-3H3
InChIKeyBPEOJCGUZYGUDW-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.74
Rot. Bonds1

About 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine

2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine (PubChem CID 117166513) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
PubChem CID117166513
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC Name2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1nc2cccnc2n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3N3/c1-16(2,3)15-22-12-8-6-10-21-14(12)23(15)13-9-5-4-7-11(13)17(18,19)20/h4-10H,1-3H3
InChIKeyBPEOJCGUZYGUDW-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20916126
7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79276288
2,3-dimethyl-3-(3-methylimidazo[4,5-b]pyridin-2-yl)butan-2-amine
CID 65261518
tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane
CID 58803425
2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117166329
2-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117166519
2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 71076194
2-tert-butyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166366
1-(2-methylphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53019866
3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one
CID 150022556
2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 154463151

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine (CID 117166513) is 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine is CC(C)(C)c1nc2cccnc2n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The InChIKey is BPEOJCGUZYGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-16(2,3)15-22-12-8-6-10-21-14(12)23(15)13-9-5-4-7-11(13)17(18,19)20/h4-10H,1-3H3.
What are the key properties of 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine has a molecular weight of 319.33 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).