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

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

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Related Compounds

2-Propanol, 1-[[2-(4-pyridinyl)ethyl]amino]-3-[4
CID 13621721
4-(M-Propoxyphenyl)-2-[[2-(4-imidazolyl)ethyl]TH
CID 23276200
4-(p-O-Bu)-2[[2-[4-imidazolyl]Et]S]imidazole
CID 23276430
4-[5-(4-Fluorophenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-2-methoxypyridine
CID 10935965
4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 11145478
2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793
4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-(tetrahydro-furan-2-ylmethoxy)-pyridine
CID 24905907
2-Benzyloxy-4-[4-(4-fluoro-phenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-pyridin
CID 24906152
4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-p-tolyloxy-pyridine
CID 24906153
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-propan-2-yloxypyridine
CID 44339140
N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225642
2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14154365

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).