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

C13H17F3N2O — CID 156532941

IUPAC2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1cn2c(n1)C(C1CCOC1)CC(C(F)(F)F)C2
InChIInChI=1S/C13H17F3N2O/c1-8-5-18-6-10(13(14,15)16)4-11(12(18)17-8)9-2-3-19-7-9/h5,9-11H,2-4,6-7H2,1H3
InChIKeyPUZAPYJILMQUEM-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.89
Rot. Bonds1

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

2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 156532941) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID156532941
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1cn2c(n1)C(C1CCOC1)CC(C(F)(F)F)C2
InChIInChI=1S/C13H17F3N2O/c1-8-5-18-6-10(13(14,15)16)4-11(12(18)17-8)9-2-3-19-7-9/h5,9-11H,2-4,6-7H2,1H3
InChIKeyPUZAPYJILMQUEM-UHFFFAOYSA-N
XLogP2.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 156532941) is 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is Cc1cn2c(n1)C(C1CCOC1)CC(C(F)(F)F)C2.
What is the InChIKey of 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is PUZAPYJILMQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8-5-18-6-10(13(14,15)16)4-11(12(18)17-8)9-2-3-19-7-9/h5,9-11H,2-4,6-7H2,1H3.
What are the key properties of 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 274.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(oxolan-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 156532941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).