5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole

C8H4ClF3N2S — CID 116883583

IUPAC5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1ncc(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C8H4ClF3N2S/c9-6-2-1-5(15-6)4-3-13-7(14-4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyFUEOLEZLEXKAJE-UHFFFAOYSA-N
MW252.65 g/mol
LogP3.81
Rot. Bonds1

About 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole

5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 116883583) has the molecular formula C8H4ClF3N2S and a molecular weight of 252.65 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID116883583
Molecular FormulaC8H4ClF3N2S
Molecular Weight252.65 g/mol
Exact Mass251.97
IUPAC Name5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1ncc(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C8H4ClF3N2S/c9-6-2-1-5(15-6)4-3-13-7(14-4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyFUEOLEZLEXKAJE-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole (CID 116883583) is 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1ncc(-c2ccc(Cl)s2)[nH]1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is FUEOLEZLEXKAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2S/c9-6-2-1-5(15-6)4-3-13-7(14-4)8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole?
5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 252.65 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 116883583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).