5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione

C16H13FN4O3 — CID 24820818

IUPAC5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(CCn1cccc1)c1ccc(F)cc12
InChIInChI=1S/C16H13FN4O3/c17-10-3-4-12-11(9-10)16(13(22)18-15(24)19-16)14(23)21(12)8-7-20-5-1-2-6-20/h1-6,9H,7-8H2,(H2,18,19,22,24)
InChIKeySWKQHHWNVFRDLE-UHFFFAOYSA-N
MW328.30 g/mol
LogP0.71
Rot. Bonds3

About 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione

5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24820818) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24820818
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC Name5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(CCn1cccc1)c1ccc(F)cc12
InChIInChI=1S/C16H13FN4O3/c17-10-3-4-12-11(9-10)16(13(22)18-15(24)19-16)14(23)21(12)8-7-20-5-1-2-6-20/h1-6,9H,7-8H2,(H2,18,19,22,24)
InChIKeySWKQHHWNVFRDLE-UHFFFAOYSA-N
XLogP0.71
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24820818) is 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is O=C1NC(=O)C2(N1)C(=O)N(CCn1cccc1)c1ccc(F)cc12.
What is the InChIKey of 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is SWKQHHWNVFRDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c17-10-3-4-12-11(9-10)16(13(22)18-15(24)19-16)14(23)21(12)8-7-20-5-1-2-6-20/h1-6,9H,7-8H2,(H2,18,19,22,24).
What are the key properties of 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 328.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24820818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).