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

C17H14F3N3O2S — CID 10809855

IUPAC3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
SMILESCc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H14F3N3O2S/c1-11-7-12(9-21-8-11)16-22-15(17(18,19)20)10-23(16)13-3-5-14(6-4-13)26(2,24)25/h3-10H,1-2H3
InChIKeyQTNCGRLVLIWKLU-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.67
Rot. Bonds3

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

3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine (PubChem CID 10809855) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
PubChem CID10809855
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
SMILESCc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H14F3N3O2S/c1-11-7-12(9-21-8-11)16-22-15(17(18,19)20)10-23(16)13-3-5-14(6-4-13)26(2,24)25/h3-10H,1-2H3
InChIKeyQTNCGRLVLIWKLU-UHFFFAOYSA-N
XLogP3.67
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The IUPAC name of 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine (CID 10809855) is 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine is Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The InChIKey is QTNCGRLVLIWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-11-7-12(9-21-8-11)16-22-15(17(18,19)20)10-23(16)13-3-5-14(6-4-13)26(2,24)25/h3-10H,1-2H3.
What are the key properties of 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine has a molecular weight of 381.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 10809855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).