3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C32H28N4O2 — CID 10940039

IUPAC3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C4CCN(Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C32H28N4O2/c1-34-19-25(23-11-5-7-13-27(23)34)29-30(32(38)33-31(29)37)26-20-36(28-14-8-6-12-24(26)28)22-15-16-35(18-22)17-21-9-3-2-4-10-21/h2-14,19-20,22H,15-18H2,1H3,(H,33,37,38)
InChIKeyXHECFEYKUWOZIT-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.15
Rot. Bonds5

About 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10940039) has the molecular formula C32H28N4O2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID10940039
Molecular FormulaC32H28N4O2
Molecular Weight500.60 g/mol
Exact Mass500.22
IUPAC Name3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C4CCN(Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C32H28N4O2/c1-34-19-25(23-11-5-7-13-27(23)34)29-30(32(38)33-31(29)37)26-20-36(28-14-8-6-12-24(26)28)22-15-16-35(18-22)17-21-9-3-2-4-10-21/h2-14,19-20,22H,15-18H2,1H3,(H,33,37,38)
InChIKeyXHECFEYKUWOZIT-UHFFFAOYSA-N
XLogP5.15
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.15
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-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 10940039) is 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is XHECFEYKUWOZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O2/c1-34-19-25(23-11-5-7-13-27(23)34)29-30(32(38)33-31(29)37)26-20-36(28-14-8-6-12-24(26)28)22-15-16-35(18-22)17-21-9-3-2-4-10-21/h2-14,19-20,22H,15-18H2,1H3,(H,33,37,38).
What are the key properties of 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 500.60 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzylpyrrolidin-3-yl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10940039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).