4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine

C16H14FN3S — CID 11822680

IUPAC4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C
InChIInChI=1S/C16H14FN3S/c1-20-15(12-7-9-18-10-8-12)14(19-16(20)21-2)11-3-5-13(17)6-4-11/h3-10H,1-2H3
InChIKeyJKQVSWUXZILLKH-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.01
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine (PubChem CID 11822680) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine
PubChem CID11822680
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC Name4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C
InChIInChI=1S/C16H14FN3S/c1-20-15(12-7-9-18-10-8-12)14(19-16(20)21-2)11-3-5-13(17)6-4-11/h3-10H,1-2H3
InChIKeyJKQVSWUXZILLKH-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine (CID 11822680) is 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine is CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine?
The InChIKey is JKQVSWUXZILLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c1-20-15(12-7-9-18-10-8-12)14(19-16(20)21-2)11-3-5-13(17)6-4-11/h3-10H,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine has a molecular weight of 299.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine is sourced from PubChem (CID 11822680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).