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

C22H18FN3OS2 — CID 10884368

IUPAC4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C22H18FN3OS2/c1-29(27)19-5-3-2-4-17(19)14-28-22-25-20(15-6-8-18(23)9-7-15)21(26-22)16-10-12-24-13-11-16/h2-13H,14H2,1H3,(H,25,26)
InChIKeyKRRCAAGRJZQAMA-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.31
Rot. Bonds6

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

4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine (PubChem CID 10884368) has the molecular formula C22H18FN3OS2 and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine
PubChem CID10884368
Molecular FormulaC22H18FN3OS2
Molecular Weight423.54 g/mol
Exact Mass423.09
IUPAC Name4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C22H18FN3OS2/c1-29(27)19-5-3-2-4-17(19)14-28-22-25-20(15-6-8-18(23)9-7-15)21(26-22)16-10-12-24-13-11-16/h2-13H,14H2,1H3,(H,25,26)
InChIKeyKRRCAAGRJZQAMA-UHFFFAOYSA-N
XLogP5.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 55.31
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-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine (CID 10884368) is 4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine is CS(=O)c1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine?
The InChIKey is KRRCAAGRJZQAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS2/c1-29(27)19-5-3-2-4-17(19)14-28-22-25-20(15-6-8-18(23)9-7-15)21(26-22)16-10-12-24-13-11-16/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-[(2-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine has a molecular weight of 423.54 g/mol, XLogP of 5.31, 6 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-methylsulfinylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10884368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).