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

C24H18N2O3 — CID 16741728

IUPAC3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(C3CC3)ccc21
InChIInChI=1S/C24H18N2O3/c1-26-11-17(16-10-14(13-6-7-13)8-9-19(16)26)21-22(24(28)25-23(21)27)18-12-29-20-5-3-2-4-15(18)20/h2-5,8-13H,6-7H2,1H3,(H,25,27,28)
InChIKeyXJZGBIWHBPHGTM-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.37
Rot. Bonds3

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

3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 16741728) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID16741728
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(C3CC3)ccc21
InChIInChI=1S/C24H18N2O3/c1-26-11-17(16-10-14(13-6-7-13)8-9-19(16)26)21-22(24(28)25-23(21)27)18-12-29-20-5-3-2-4-15(18)20/h2-5,8-13H,6-7H2,1H3,(H,25,27,28)
InChIKeyXJZGBIWHBPHGTM-UHFFFAOYSA-N
XLogP4.37
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione (CID 16741728) is 3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(C3CC3)ccc21.
What is the InChIKey of 3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is XJZGBIWHBPHGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-26-11-17(16-10-14(13-6-7-13)8-9-19(16)26)21-22(24(28)25-23(21)27)18-12-29-20-5-3-2-4-15(18)20/h2-5,8-13H,6-7H2,1H3,(H,25,27,28).
What are the key properties of 3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione?
3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 382.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 16741728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).