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

C20H16FN3OS2 — CID 44568254

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine
SMILESCSc1nc(-c2ccnc(OCc3cccs3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H16FN3OS2/c1-26-20-23-18(13-4-6-15(21)7-5-13)19(24-20)14-8-9-22-17(11-14)25-12-16-3-2-10-27-16/h2-11H,12H2,1H3,(H,23,24)
InChIKeyMJLOGJAOUOAHCP-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.64
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine (PubChem CID 44568254) has the molecular formula C20H16FN3OS2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine
PubChem CID44568254
Molecular FormulaC20H16FN3OS2
Molecular Weight397.50 g/mol
Exact Mass397.07
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine
SMILESCSc1nc(-c2ccnc(OCc3cccs3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H16FN3OS2/c1-26-20-23-18(13-4-6-15(21)7-5-13)19(24-20)14-8-9-22-17(11-14)25-12-16-3-2-10-27-16/h2-11H,12H2,1H3,(H,23,24)
InChIKeyMJLOGJAOUOAHCP-UHFFFAOYSA-N
XLogP5.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.64
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-(thiophen-2-ylmethoxy)pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine (CID 44568254) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine is CSc1nc(-c2ccnc(OCc3cccs3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine?
The InChIKey is MJLOGJAOUOAHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS2/c1-26-20-23-18(13-4-6-15(21)7-5-13)19(24-20)14-8-9-22-17(11-14)25-12-16-3-2-10-27-16/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethoxy)pyridine has a molecular weight of 397.50 g/mol, XLogP of 5.64, 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-(thiophen-2-ylmethoxy)pyridine is sourced from PubChem (CID 44568254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).