6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione

C13H10FN3O2 — CID 28782848

IUPAC6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCn2ccnc2)c2cc(F)ccc21
InChIInChI=1S/C13H10FN3O2/c14-9-1-2-10-11(7-9)17(13(19)12(10)18)6-5-16-4-3-15-8-16/h1-4,7-8H,5-6H2
InChIKeyOQGUAEWGUKWGSF-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.25
Rot. Bonds3

About 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione

6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione (PubChem CID 28782848) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione
PubChem CID28782848
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCn2ccnc2)c2cc(F)ccc21
InChIInChI=1S/C13H10FN3O2/c14-9-1-2-10-11(7-9)17(13(19)12(10)18)6-5-16-4-3-15-8-16/h1-4,7-8H,5-6H2
InChIKeyOQGUAEWGUKWGSF-UHFFFAOYSA-N
XLogP1.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione?
The IUPAC name of 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione (CID 28782848) is 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCn2ccnc2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione?
The InChIKey is OQGUAEWGUKWGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-9-1-2-10-11(7-9)17(13(19)12(10)18)6-5-16-4-3-15-8-16/h1-4,7-8H,5-6H2.
What are the key properties of 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione?
6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione has a molecular weight of 259.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 28782848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).