5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione

C11H6FN3O2S — CID 107780514

IUPAC5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncc[nH]3)c(F)cc2C1=O
InChIInChI=1S/C11H6FN3O2S/c12-6-3-5-7(15-10(17)9(5)16)4-8(6)18-11-13-1-2-14-11/h1-4H,(H,13,14)(H,15,16,17)
InChIKeyWVFQGKJSHBBGKB-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.83
Rot. Bonds2

About 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione

5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione (PubChem CID 107780514) has the molecular formula C11H6FN3O2S and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione
PubChem CID107780514
Molecular FormulaC11H6FN3O2S
Molecular Weight263.25 g/mol
Exact Mass263.02
IUPAC Name5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncc[nH]3)c(F)cc2C1=O
InChIInChI=1S/C11H6FN3O2S/c12-6-3-5-7(15-10(17)9(5)16)4-8(6)18-11-13-1-2-14-11/h1-4H,(H,13,14)(H,15,16,17)
InChIKeyWVFQGKJSHBBGKB-UHFFFAOYSA-N
XLogP1.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione (CID 107780514) is 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ncc[nH]3)c(F)cc2C1=O.
What is the InChIKey of 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The InChIKey is WVFQGKJSHBBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2S/c12-6-3-5-7(15-10(17)9(5)16)4-8(6)18-11-13-1-2-14-11/h1-4H,(H,13,14)(H,15,16,17).
What are the key properties of 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione?
5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione has a molecular weight of 263.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(1H-imidazol-2-ylsulfanyl)-1H-indole-2,3-dione is sourced from PubChem (CID 107780514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).