4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine

C22H18FN3OS — CID 24906153

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine
SMILESCSc1nc(-c2ccnc(Oc3ccc(C)cc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C22H18FN3OS/c1-14-3-9-18(10-4-14)27-19-13-16(11-12-24-19)21-20(25-22(26-21)28-2)15-5-7-17(23)8-6-15/h3-13H,1-2H3,(H,25,26)
InChIKeyFKVMXCJHYUFCJI-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.10
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine (PubChem CID 24906153) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine
PubChem CID24906153
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine
SMILESCSc1nc(-c2ccnc(Oc3ccc(C)cc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C22H18FN3OS/c1-14-3-9-18(10-4-14)27-19-13-16(11-12-24-19)21-20(25-22(26-21)28-2)15-5-7-17(23)8-6-15/h3-13H,1-2H3,(H,25,26)
InChIKeyFKVMXCJHYUFCJI-UHFFFAOYSA-N
XLogP6.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine (CID 24906153) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine is CSc1nc(-c2ccnc(Oc3ccc(C)cc3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine?
The InChIKey is FKVMXCJHYUFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-14-3-9-18(10-4-14)27-19-13-16(11-12-24-19)21-20(25-22(26-21)28-2)15-5-7-17(23)8-6-15/h3-13H,1-2H3,(H,25,26).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine has a molecular weight of 391.47 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(4-methylphenoxy)pyridine is sourced from PubChem (CID 24906153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).