3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione

C26H24N2O5 — CID 71733641

IUPAC3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOCCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(CCOC)c12
InChIInChI=1S/C26H24N2O5/c1-31-12-10-16-6-5-8-18-19(14-28(24(16)18)11-13-32-2)22-23(26(30)27-25(22)29)20-15-33-21-9-4-3-7-17(20)21/h3-9,14-15H,10-13H2,1-2H3,(H,27,29,30)
InChIKeyPZPUTWXVIBPZLC-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.79
Rot. Bonds8

About 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione

3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 71733641) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID71733641
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOCCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(CCOC)c12
InChIInChI=1S/C26H24N2O5/c1-31-12-10-16-6-5-8-18-19(14-28(24(16)18)11-13-32-2)22-23(26(30)27-25(22)29)20-15-33-21-9-4-3-7-17(20)21/h3-9,14-15H,10-13H2,1-2H3,(H,27,29,30)
InChIKeyPZPUTWXVIBPZLC-UHFFFAOYSA-N
XLogP3.79
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione (CID 71733641) is 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione is COCCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(CCOC)c12.
What is the InChIKey of 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is PZPUTWXVIBPZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-31-12-10-16-6-5-8-18-19(14-28(24(16)18)11-13-32-2)22-23(26(30)27-25(22)29)20-15-33-21-9-4-3-7-17(20)21/h3-9,14-15H,10-13H2,1-2H3,(H,27,29,30).
What are the key properties of 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 444.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 71733641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).