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

C20H20FN3O2S — CID 24905907

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine
SMILESCSc1nc(-c2ccnc(OCC3CCCO3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H20FN3O2S/c1-27-20-23-18(13-4-6-15(21)7-5-13)19(24-20)14-8-9-22-17(11-14)26-12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,23,24)
InChIKeyQJYRCOUSDADLAD-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.56
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine (PubChem CID 24905907) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine
PubChem CID24905907
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine
SMILESCSc1nc(-c2ccnc(OCC3CCCO3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H20FN3O2S/c1-27-20-23-18(13-4-6-15(21)7-5-13)19(24-20)14-8-9-22-17(11-14)26-12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,23,24)
InChIKeyQJYRCOUSDADLAD-UHFFFAOYSA-N
XLogP4.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine (CID 24905907) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine is CSc1nc(-c2ccnc(OCC3CCCO3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine?
The InChIKey is QJYRCOUSDADLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-27-20-23-18(13-4-6-15(21)7-5-13)19(24-20)14-8-9-22-17(11-14)26-12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,23,24).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine has a molecular weight of 385.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(oxolan-2-ylmethoxy)pyridine is sourced from PubChem (CID 24905907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).