5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole

C12H11F3N2S — CID 11149952

IUPAC5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(SCCc2cnc[nH]2)c1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)9-2-1-3-11(6-9)18-5-4-10-7-16-8-17-10/h1-3,6-8H,4-5H2,(H,16,17)
InChIKeyJAEBJUDIVGJYFZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.76
Rot. Bonds4

About 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole

5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole (PubChem CID 11149952) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole
PubChem CID11149952
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(SCCc2cnc[nH]2)c1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)9-2-1-3-11(6-9)18-5-4-10-7-16-8-17-10/h1-3,6-8H,4-5H2,(H,16,17)
InChIKeyJAEBJUDIVGJYFZ-UHFFFAOYSA-N
XLogP3.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole?
The IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole (CID 11149952) is 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole?
The canonical SMILES for 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole is FC(F)(F)c1cccc(SCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole?
The InChIKey is JAEBJUDIVGJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c13-12(14,15)9-2-1-3-11(6-9)18-5-4-10-7-16-8-17-10/h1-3,6-8H,4-5H2,(H,16,17).
What are the key properties of 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole?
5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole has a molecular weight of 272.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole is sourced from PubChem (CID 11149952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).