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

C22H18FN3OS — CID 24906152

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine
SMILESCSc1nc(-c2ccnc(OCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C22H18FN3OS/c1-28-22-25-20(16-7-9-18(23)10-8-16)21(26-22)17-11-12-24-19(13-17)27-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,26)
InChIKeyYNOFWAGLYQYOOD-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.58
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine (PubChem CID 24906152) 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-phenylmethoxypyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine
PubChem CID24906152
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine
SMILESCSc1nc(-c2ccnc(OCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C22H18FN3OS/c1-28-22-25-20(16-7-9-18(23)10-8-16)21(26-22)17-11-12-24-19(13-17)27-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,26)
InChIKeyYNOFWAGLYQYOOD-UHFFFAOYSA-N
XLogP5.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.58
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-phenylmethoxypyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine (CID 24906152) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine is CSc1nc(-c2ccnc(OCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine?
The InChIKey is YNOFWAGLYQYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-28-22-25-20(16-7-9-18(23)10-8-16)21(26-22)17-11-12-24-19(13-17)27-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenylmethoxypyridine has a molecular weight of 391.47 g/mol, XLogP of 5.58, 6 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-phenylmethoxypyridine is sourced from PubChem (CID 24906152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).