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

C12H17F3N2 — CID 163390431

IUPAC7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC(C)CC1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C12H17F3N2/c1-8(2)5-9-3-4-17-7-10(12(13,14)15)16-11(17)6-9/h7-9H,3-6H2,1-2H3
InChIKeyHTQCDLSERAPQHJ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.51
Rot. Bonds2

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

7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 163390431) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID163390431
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC(C)CC1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C12H17F3N2/c1-8(2)5-9-3-4-17-7-10(12(13,14)15)16-11(17)6-9/h7-9H,3-6H2,1-2H3
InChIKeyHTQCDLSERAPQHJ-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 163390431) is 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC(C)CC1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is HTQCDLSERAPQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8(2)5-9-3-4-17-7-10(12(13,14)15)16-11(17)6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 246.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 163390431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).