1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole

C11H9F3N2S — CID 67699828

IUPAC1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole
SMILESCSc1ccccc1-n1ccnc1C(F)(F)F
InChIInChI=1S/C11H9F3N2S/c1-17-9-5-3-2-4-8(9)16-7-6-15-10(16)11(12,13)14/h2-7H,1H3
InChIKeyOKVHDNBGANMZAU-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.61
Rot. Bonds2

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

1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole (PubChem CID 67699828) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole
PubChem CID67699828
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole
SMILESCSc1ccccc1-n1ccnc1C(F)(F)F
InChIInChI=1S/C11H9F3N2S/c1-17-9-5-3-2-4-8(9)16-7-6-15-10(16)11(12,13)14/h2-7H,1H3
InChIKeyOKVHDNBGANMZAU-UHFFFAOYSA-N
XLogP3.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole (CID 67699828) is 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole is CSc1ccccc1-n1ccnc1C(F)(F)F.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole?
The InChIKey is OKVHDNBGANMZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-17-9-5-3-2-4-8(9)16-7-6-15-10(16)11(12,13)14/h2-7H,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole?
1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole has a molecular weight of 258.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 67699828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).