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

C16H14F3N3O2S — CID 91330324

IUPAC1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine
SMILESCS(=O)(=O)c1ccc(N2C=C(c3ncc(C(F)(F)F)[nH]3)C=CC2)cc1
InChIInChI=1S/C16H14F3N3O2S/c1-25(23,24)13-6-4-12(5-7-13)22-8-2-3-11(10-22)15-20-9-14(21-15)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyVRIOWAYNVUXRQZ-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.25
Rot. Bonds3

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

1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine (PubChem CID 91330324) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine
PubChem CID91330324
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine
SMILESCS(=O)(=O)c1ccc(N2C=C(c3ncc(C(F)(F)F)[nH]3)C=CC2)cc1
InChIInChI=1S/C16H14F3N3O2S/c1-25(23,24)13-6-4-12(5-7-13)22-8-2-3-11(10-22)15-20-9-14(21-15)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyVRIOWAYNVUXRQZ-UHFFFAOYSA-N
XLogP3.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine?
The IUPAC name of 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine (CID 91330324) is 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine is CS(=O)(=O)c1ccc(N2C=C(c3ncc(C(F)(F)F)[nH]3)C=CC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine?
The InChIKey is VRIOWAYNVUXRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-25(23,24)13-6-4-12(5-7-13)22-8-2-3-11(10-22)15-20-9-14(21-15)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,21).
What are the key properties of 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine?
1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine has a molecular weight of 369.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2H-pyridine is sourced from PubChem (CID 91330324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).