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

C22H19N3OS2 — CID 10873194

IUPAC4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C22H19N3OS2/c1-28(26)19-9-7-16(8-10-19)15-27-22-24-20(17-5-3-2-4-6-17)21(25-22)18-11-13-23-14-12-18/h2-14H,15H2,1H3,(H,24,25)
InChIKeyIETZEUGQJUBHSE-UHFFFAOYSA-N
MW405.55 g/mol
LogP5.17
Rot. Bonds6

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

4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine (PubChem CID 10873194) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine
PubChem CID10873194
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC Name4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C22H19N3OS2/c1-28(26)19-9-7-16(8-10-19)15-27-22-24-20(17-5-3-2-4-6-17)21(25-22)18-11-13-23-14-12-18/h2-14H,15H2,1H3,(H,24,25)
InChIKeyIETZEUGQJUBHSE-UHFFFAOYSA-N
XLogP5.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine (CID 10873194) is 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine is CS(=O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine?
The InChIKey is IETZEUGQJUBHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS2/c1-28(26)19-9-7-16(8-10-19)15-27-22-24-20(17-5-3-2-4-6-17)21(25-22)18-11-13-23-14-12-18/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine?
4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine has a molecular weight of 405.55 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10873194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).