1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole

C12H11F3N2S — CID 67697189

IUPAC1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole
SMILESCCSc1ccccc1-n1ccnc1C(F)(F)F
InChIInChI=1S/C12H11F3N2S/c1-2-18-10-6-4-3-5-9(10)17-8-7-16-11(17)12(13,14)15/h3-8H,2H2,1H3
InChIKeyJKYANFGYJKFCDC-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole

1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole (PubChem CID 67697189) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole
PubChem CID67697189
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole
SMILESCCSc1ccccc1-n1ccnc1C(F)(F)F
InChIInChI=1S/C12H11F3N2S/c1-2-18-10-6-4-3-5-9(10)17-8-7-16-11(17)12(13,14)15/h3-8H,2H2,1H3
InChIKeyJKYANFGYJKFCDC-UHFFFAOYSA-N
XLogP4.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole (CID 67697189) is 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole is CCSc1ccccc1-n1ccnc1C(F)(F)F.
What is the InChIKey of 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole?
The InChIKey is JKYANFGYJKFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-2-18-10-6-4-3-5-9(10)17-8-7-16-11(17)12(13,14)15/h3-8H,2H2,1H3.
What are the key properties of 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole?
1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole has a molecular weight of 272.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 67697189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).