6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C13H19F3N2 — CID 166507352

IUPAC6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1nc2n(c1C(F)(F)F)CC(C(C)(C)C)CC2
InChIInChI=1S/C13H19F3N2/c1-8-11(13(14,15)16)18-7-9(12(2,3)4)5-6-10(18)17-8/h9H,5-7H2,1-4H3
InChIKeyCYJZKYYSDXHVHL-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.82
Rot. Bonds

About 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 166507352) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID166507352
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1nc2n(c1C(F)(F)F)CC(C(C)(C)C)CC2
InChIInChI=1S/C13H19F3N2/c1-8-11(13(14,15)16)18-7-9(12(2,3)4)5-6-10(18)17-8/h9H,5-7H2,1-4H3
InChIKeyCYJZKYYSDXHVHL-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane
CID 140742867
3-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 145385980
3-Propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 149212143
3-Tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 153470244
3-Tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 154620838
2-(Difluoromethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 156649065
Ethane;6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 157042108
6-Isothiocyanato-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 157042200
(6R)-6-ethyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 157042243
7-Propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390410
7-(2-Methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390431
7-Butan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390466

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 166507352) is 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is Cc1nc2n(c1C(F)(F)F)CC(C(C)(C)C)CC2.
What is the InChIKey of 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is CYJZKYYSDXHVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-8-11(13(14,15)16)18-7-9(12(2,3)4)5-6-10(18)17-8/h9H,5-7H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 260.30 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 166507352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).