4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine

C23H20FN3OS2 — CID 11004637

IUPAC4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1ccc(CCSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C23H20FN3OS2/c1-30(28)20-8-2-16(3-9-20)12-15-29-23-26-21(17-4-6-19(24)7-5-17)22(27-23)18-10-13-25-14-11-18/h2-11,13-14H,12,15H2,1H3,(H,26,27)
InChIKeyNPADBIOEWOOPSK-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.35
Rot. Bonds7

About 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine

4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine (PubChem CID 11004637) has the molecular formula C23H20FN3OS2 and a molecular weight of 437.57 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine
PubChem CID11004637
Molecular FormulaC23H20FN3OS2
Molecular Weight437.57 g/mol
Exact Mass437.10
IUPAC Name4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1ccc(CCSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C23H20FN3OS2/c1-30(28)20-8-2-16(3-9-20)12-15-29-23-26-21(17-4-6-19(24)7-5-17)22(27-23)18-10-13-25-14-11-18/h2-11,13-14H,12,15H2,1H3,(H,26,27)
InChIKeyNPADBIOEWOOPSK-UHFFFAOYSA-N
XLogP5.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine (CID 11004637) is 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine is CS(=O)c1ccc(CCSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine?
The InChIKey is NPADBIOEWOOPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3OS2/c1-30(28)20-8-2-16(3-9-20)12-15-29-23-26-21(17-4-6-19(24)7-5-17)22(27-23)18-10-13-25-14-11-18/h2-11,13-14H,12,15H2,1H3,(H,26,27).
What are the key properties of 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine has a molecular weight of 437.57 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-[2-(4-methylsulfinylphenyl)ethylsulfanyl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 11004637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).