3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine

C16H12F3N3O2S — CID 18463622

IUPAC3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccnc2)cc1
InChIInChI=1S/C16H12F3N3O2S/c1-25(23,24)12-6-4-10(5-7-12)13-14(11-3-2-8-20-9-11)22-15(21-13)16(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyUQGFUMGWOQFNJL-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.56
Rot. Bonds3

About 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine

3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine (PubChem CID 18463622) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine
PubChem CID18463622
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccnc2)cc1
InChIInChI=1S/C16H12F3N3O2S/c1-25(23,24)12-6-4-10(5-7-12)13-14(11-3-2-8-20-9-11)22-15(21-13)16(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyUQGFUMGWOQFNJL-UHFFFAOYSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine?
The IUPAC name of 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine (CID 18463622) is 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine is CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccnc2)cc1.
What is the InChIKey of 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine?
The InChIKey is UQGFUMGWOQFNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c1-25(23,24)12-6-4-10(5-7-12)13-14(11-3-2-8-20-9-11)22-15(21-13)16(17,18)19/h2-9H,1H3,(H,21,22).
What are the key properties of 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine?
3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine has a molecular weight of 367.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 18463622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).