3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

C20H11BrN2O3 — CID 165437352

IUPAC3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2coc3cc(Br)ccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H11BrN2O3/c21-10-5-6-12-14(9-26-16(12)7-10)18-17(19(24)23-20(18)25)13-8-22-15-4-2-1-3-11(13)15/h1-9,22H,(H,23,24,25)
InChIKeyGCLUGZOHGADXMQ-UHFFFAOYSA-N
MW407.22 g/mol
LogP4.24
Rot. Bonds2

About 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 165437352) has the molecular formula C20H11BrN2O3 and a molecular weight of 407.22 g/mol. Its IUPAC name is 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID165437352
Molecular FormulaC20H11BrN2O3
Molecular Weight407.22 g/mol
Exact Mass406.00
IUPAC Name3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2coc3cc(Br)ccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H11BrN2O3/c21-10-5-6-12-14(9-26-16(12)7-10)18-17(19(24)23-20(18)25)13-8-22-15-4-2-1-3-11(13)15/h1-9,22H,(H,23,24,25)
InChIKeyGCLUGZOHGADXMQ-UHFFFAOYSA-N
XLogP4.24
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
CID 163360683
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
3-(1,4-benzodioxin-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 134998083
3-(1-benzofuran-3-yl)-4-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]pyrrole-2,5-dione
CID 71734778
3-[5-bromo-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409607
3-[5-bromo-1-[3-(dimethylamino)-2-hydroxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409298
3-(1-azatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-4-(6-bromo-1H-indol-3-yl)pyrrole-2,5-dione
CID 22556855
3-(5-bromo-1H-indol-3-yl)-4-(5-fluoro-1-benzofuran-3-yl)-1-hydroxypyrrole-2,5-dione
CID 172640017
2-[3-[5-bromo-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]-1-nitroguanidine
CID 22409989
3-[6-amino-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410652

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 165437352) is 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2coc3cc(Br)ccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is GCLUGZOHGADXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrN2O3/c21-10-5-6-12-14(9-26-16(12)7-10)18-17(19(24)23-20(18)25)13-8-22-15-4-2-1-3-11(13)15/h1-9,22H,(H,23,24,25).
What are the key properties of 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 407.22 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 165437352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).