2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine

C24H23N3OS2 — CID 23175670

IUPAC2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine
SMILESO=S(CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccn1
InChIInChI=1S/C24H23N3OS2/c28-30(21-15-7-8-16-25-21)18-10-9-17-29-24-26-22(19-11-3-1-4-12-19)23(27-24)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,26,27)
InChIKeyKXBKELHMYKQFRN-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.82
Rot. Bonds9

About 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine

2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine (PubChem CID 23175670) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine.

Molecular Properties

Compound Name2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine
PubChem CID23175670
Molecular FormulaC24H23N3OS2
Molecular Weight433.60 g/mol
Exact Mass433.13
IUPAC Name2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine
SMILESO=S(CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccn1
InChIInChI=1S/C24H23N3OS2/c28-30(21-15-7-8-16-25-21)18-10-9-17-29-24-26-22(19-11-3-1-4-12-19)23(27-24)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,26,27)
InChIKeyKXBKELHMYKQFRN-UHFFFAOYSA-N
XLogP5.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine?
The IUPAC name of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine (CID 23175670) is 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine.
What is the SMILES notation for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine?
The canonical SMILES for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine is O=S(CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccn1.
What is the InChIKey of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine?
The InChIKey is KXBKELHMYKQFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS2/c28-30(21-15-7-8-16-25-21)18-10-9-17-29-24-26-22(19-11-3-1-4-12-19)23(27-24)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,26,27).
What are the key properties of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine?
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine has a molecular weight of 433.60 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine is sourced from PubChem (CID 23175670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).