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

C22H16N2O4 — CID 69267491

IUPAC3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCOc1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2occc2c1
InChIInChI=1S/C22H16N2O4/c1-24-11-16(14-5-3-4-6-17(14)24)19-18(21(25)23-22(19)26)15-10-13(27-2)9-12-7-8-28-20(12)15/h3-11H,1-2H3,(H,23,25,26)
InChIKeyDTUTVNWSSBMZBN-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.50
Rot. Bonds3

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

3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 69267491) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID69267491
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCOc1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2occc2c1
InChIInChI=1S/C22H16N2O4/c1-24-11-16(14-5-3-4-6-17(14)24)19-18(21(25)23-22(19)26)15-10-13(27-2)9-12-7-8-28-20(12)15/h3-11H,1-2H3,(H,23,25,26)
InChIKeyDTUTVNWSSBMZBN-UHFFFAOYSA-N
XLogP3.50
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 69267491) is 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is COc1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2occc2c1.
What is the InChIKey of 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is DTUTVNWSSBMZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-24-11-16(14-5-3-4-6-17(14)24)19-18(21(25)23-22(19)26)15-10-13(27-2)9-12-7-8-28-20(12)15/h3-11H,1-2H3,(H,23,25,26).
What are the key properties of 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 372.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 69267491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).