3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione

C23H18N2O4 — CID 44582838

IUPAC3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
SMILESCOCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C23H18N2O4/c1-25-10-16(15-8-5-6-13(11-28-2)21(15)25)19-20(23(27)24-22(19)26)17-12-29-18-9-4-3-7-14(17)18/h3-10,12H,11H2,1-2H3,(H,24,26,27)
InChIKeyHGBNXMUZCGQMOG-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.64
Rot. Bonds4

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

3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione (PubChem CID 44582838) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
PubChem CID44582838
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
SMILESCOCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C23H18N2O4/c1-25-10-16(15-8-5-6-13(11-28-2)21(15)25)19-20(23(27)24-22(19)26)17-12-29-18-9-4-3-7-14(17)18/h3-10,12H,11H2,1-2H3,(H,24,26,27)
InChIKeyHGBNXMUZCGQMOG-UHFFFAOYSA-N
XLogP3.64
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.64
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-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione (CID 44582838) is 3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione is COCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(C)c12.
What is the InChIKey of 3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The InChIKey is HGBNXMUZCGQMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-25-10-16(15-8-5-6-13(11-28-2)21(15)25)19-20(23(27)24-22(19)26)17-12-29-18-9-4-3-7-14(17)18/h3-10,12H,11H2,1-2H3,(H,24,26,27).
What are the key properties of 3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione has a molecular weight of 386.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 44582838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).