3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine

C15H19F3N2O — CID 102220949

IUPAC3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCCCCC(OC)c1cnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C15H19F3N2O/c1-3-4-5-6-13(21-2)12-10-19-14-9-11(15(16,17)18)7-8-20(12)14/h7-10,13H,3-6H2,1-2H3
InChIKeyZHUBGYBVAXSNBZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.62
Rot. Bonds6

About 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine

3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 102220949) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID102220949
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCCCCC(OC)c1cnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C15H19F3N2O/c1-3-4-5-6-13(21-2)12-10-19-14-9-11(15(16,17)18)7-8-20(12)14/h7-10,13H,3-6H2,1-2H3
InChIKeyZHUBGYBVAXSNBZ-UHFFFAOYSA-N
XLogP4.62
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 102220949) is 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine is CCCCCC(OC)c1cnc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is ZHUBGYBVAXSNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-4-5-6-13(21-2)12-10-19-14-9-11(15(16,17)18)7-8-20(12)14/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 300.32 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyhexyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 102220949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).