2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline

C12H7F3N4S — CID 16753263

IUPAC2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Sc1ncc[nH]1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)9-10(20-11-16-5-6-17-11)19-8-4-2-1-3-7(8)18-9/h1-6H,(H,16,17)
InChIKeyHFCKYHUJUDWRSK-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.52
Rot. Bonds2

About 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline

2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline (PubChem CID 16753263) has the molecular formula C12H7F3N4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline
PubChem CID16753263
Molecular FormulaC12H7F3N4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Sc1ncc[nH]1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)9-10(20-11-16-5-6-17-11)19-8-4-2-1-3-7(8)18-9/h1-6H,(H,16,17)
InChIKeyHFCKYHUJUDWRSK-UHFFFAOYSA-N
XLogP3.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline (CID 16753263) is 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline is FC(F)(F)c1nc2ccccc2nc1Sc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline?
The InChIKey is HFCKYHUJUDWRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S/c13-12(14,15)9-10(20-11-16-5-6-17-11)19-8-4-2-1-3-7(8)18-9/h1-6H,(H,16,17).
What are the key properties of 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline?
2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline has a molecular weight of 296.28 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 16753263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).