3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione

C21H14N2O4 — CID 16741730

IUPAC3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(O)c21
InChIInChI=1S/C21H14N2O4/c1-23-9-13(12-6-4-7-15(24)19(12)23)17-18(21(26)22-20(17)25)14-10-27-16-8-3-2-5-11(14)16/h2-10,24H,1H3,(H,22,25,26)
InChIKeyGUCSYYMRPJFWDL-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.20
Rot. Bonds2

About 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione

3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 16741730) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID16741730
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(O)c21
InChIInChI=1S/C21H14N2O4/c1-23-9-13(12-6-4-7-15(24)19(12)23)17-18(21(26)22-20(17)25)14-10-27-16-8-3-2-5-11(14)16/h2-10,24H,1H3,(H,22,25,26)
InChIKeyGUCSYYMRPJFWDL-UHFFFAOYSA-N
XLogP3.20
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 16741475
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
3-(7-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327692
3-(5-Fluoro-6-Iodo-1-Methyl-1h-Indol-3-Yl)-4-(7-Methoxy-1-Benzofuran-3-Yl)-1h-Pyrrole-2,5-Dione
CID 24825779
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
3-(5-methoxybenzofuran-7-yl)-4-(1-(2-(4-methylpiperazin-1-yl)ethyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 44219658
3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxymethylbenzofuran-3-yl)pyrrole-2,5-dione
CID 44582642
3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxymethylbenzofuran-3-yl)pyrrole-2,5-dione
CID 44582684
3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-hydroxymethylbenzofuran-3-yl)pyrrole-2,5-dione
CID 44582745
3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 44582838
3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-methoxymethyl-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 44582855
2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-(2-methoxyphenyl)acetamide
CID 2975165

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione (CID 16741730) is 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(O)c21.
What is the InChIKey of 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is GUCSYYMRPJFWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c1-23-9-13(12-6-4-7-15(24)19(12)23)17-18(21(26)22-20(17)25)14-10-27-16-8-3-2-5-11(14)16/h2-10,24H,1H3,(H,22,25,26).
What are the key properties of 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione?
3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 358.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-4-(7-hydroxy-1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 16741730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).