8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

C18H17F3N2 — CID 139382515

IUPAC8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C18H17F3N2/c1-17(2,3)14-8-5-9-23-11-15(22-16(14)23)12-6-4-7-13(10-12)18(19,20)21/h4-11H,1-3H3
InChIKeyCXUNVFRPHIJQEP-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.32
Rot. Bonds1

About 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 139382515) has the molecular formula C18H17F3N2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID139382515
Molecular FormulaC18H17F3N2
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C18H17F3N2/c1-17(2,3)14-8-5-9-23-11-15(22-16(14)23)12-6-4-7-13(10-12)18(19,20)21/h4-11H,1-3H3
InChIKeyCXUNVFRPHIJQEP-UHFFFAOYSA-N
XLogP5.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-amine
CID 115910845
2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 45158631
8-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 70111525
[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 81455778
8-bromo-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 115404975
6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
CID 115404629
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122284533
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117137722
2-(2-ethylbutyl)-1-sulfanyl-4-[3-(trifluoromethyl)phenyl]imidazole
CID 142070571
5-methyl-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117155802

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (CID 139382515) is 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is CC(C)(C)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is CXUNVFRPHIJQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2/c1-17(2,3)14-8-5-9-23-11-15(22-16(14)23)12-6-4-7-13(10-12)18(19,20)21/h4-11H,1-3H3.
What are the key properties of 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 318.34 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139382515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).