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

C12H17F3N2 — CID 154620838

IUPAC3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1c(C(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C12H17F3N2/c1-11(2,3)10-9(12(13,14)15)16-8-6-4-5-7-17(8)10/h4-7H2,1-3H3
InChIKeyBVTBZYLYOLCELV-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.54
Rot. Bonds

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

3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 154620838) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID154620838
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1c(C(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C12H17F3N2/c1-11(2,3)10-9(12(13,14)15)16-8-6-4-5-7-17(8)10/h4-7H2,1-3H3
InChIKeyBVTBZYLYOLCELV-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 154620838) is 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC(C)(C)c1c(C(F)(F)F)nc2n1CCCC2.
What is the InChIKey of 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is BVTBZYLYOLCELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-11(2,3)10-9(12(13,14)15)16-8-6-4-5-7-17(8)10/h4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 246.28 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 154620838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).