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

C22H17N3O2 — CID 5327659

IUPAC3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cc4ccccc4n3C)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H17N3O2/c1-24-12-15(14-8-4-6-10-17(14)24)19-20(22(27)23-21(19)26)18-11-13-7-3-5-9-16(13)25(18)2/h3-12H,1-2H3,(H,23,26,27)
InChIKeyMYVWPFIWWMGBTO-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.24
Rot. Bonds2

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

3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327659) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327659
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cc4ccccc4n3C)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H17N3O2/c1-24-12-15(14-8-4-6-10-17(14)24)19-20(22(27)23-21(19)26)18-11-13-7-3-5-9-16(13)25(18)2/h3-12H,1-2H3,(H,23,26,27)
InChIKeyMYVWPFIWWMGBTO-UHFFFAOYSA-N
XLogP3.24
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327659) is 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cc4ccccc4n3C)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is MYVWPFIWWMGBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-24-12-15(14-8-4-6-10-17(14)24)19-20(22(27)23-21(19)26)18-11-13-7-3-5-9-16(13)25(18)2/h3-12H,1-2H3,(H,23,26,27).
What are the key properties of 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 355.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).