2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine

C14H17F3N2O2S — CID 176738940

IUPAC2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine
SMILESCCc1c(C(C)(C)C)nc2cc(S(=O)(=O)C(F)(F)F)ccn12
InChIInChI=1S/C14H17F3N2O2S/c1-5-10-12(13(2,3)4)18-11-8-9(6-7-19(10)11)22(20,21)14(15,16)17/h6-8H,5H2,1-4H3
InChIKeyTWYYVGCTIFXFNQ-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.49
Rot. Bonds2

About 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine

2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine (PubChem CID 176738940) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine
PubChem CID176738940
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC Name2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine
SMILESCCc1c(C(C)(C)C)nc2cc(S(=O)(=O)C(F)(F)F)ccn12
InChIInChI=1S/C14H17F3N2O2S/c1-5-10-12(13(2,3)4)18-11-8-9(6-7-19(10)11)22(20,21)14(15,16)17/h6-8H,5H2,1-4H3
InChIKeyTWYYVGCTIFXFNQ-UHFFFAOYSA-N
XLogP3.49
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine (CID 176738940) is 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine is CCc1c(C(C)(C)C)nc2cc(S(=O)(=O)C(F)(F)F)ccn12.
What is the InChIKey of 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine?
The InChIKey is TWYYVGCTIFXFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-5-10-12(13(2,3)4)18-11-8-9(6-7-19(10)11)22(20,21)14(15,16)17/h6-8H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine?
2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine has a molecular weight of 334.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 176738940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).