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

C17H14F3N3O3S — CID 10786970

IUPAC3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
SMILESCOc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H14F3N3O3S/c1-26-13-7-11(8-21-9-13)16-22-15(17(18,19)20)10-23(16)12-3-5-14(6-4-12)27(2,24)25/h3-10H,1-2H3
InChIKeyOGFKQCWFODPUOX-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.37
Rot. Bonds4

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

3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine (PubChem CID 10786970) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
PubChem CID10786970
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
SMILESCOc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H14F3N3O3S/c1-26-13-7-11(8-21-9-13)16-22-15(17(18,19)20)10-23(16)12-3-5-14(6-4-12)27(2,24)25/h3-10H,1-2H3
InChIKeyOGFKQCWFODPUOX-UHFFFAOYSA-N
XLogP3.37
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The IUPAC name of 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine (CID 10786970) is 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine is COc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The InChIKey is OGFKQCWFODPUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-26-13-7-11(8-21-9-13)16-22-15(17(18,19)20)10-23(16)12-3-5-14(6-4-12)27(2,24)25/h3-10H,1-2H3.
What are the key properties of 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine has a molecular weight of 397.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 10786970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).