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

C22H16ClN3O2 — CID 5327670

IUPAC3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H16ClN3O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-8-7-12(23)9-14(16)18/h3-11H,1-2H3,(H,24,27,28)
InChIKeyVVLJRAHYERPXFH-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.89
Rot. Bonds2

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

3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327670) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327670
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H16ClN3O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-8-7-12(23)9-14(16)18/h3-11H,1-2H3,(H,24,27,28)
InChIKeyVVLJRAHYERPXFH-UHFFFAOYSA-N
XLogP3.89
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.89
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-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327670) is 3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is VVLJRAHYERPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-8-7-12(23)9-14(16)18/h3-11H,1-2H3,(H,24,27,28).
What are the key properties of 3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 389.84 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).