3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione

C22H16N2O4 — CID 44582836

IUPAC3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(CO)c21
InChIInChI=1S/C22H16N2O4/c1-24-9-15(14-7-4-5-12(10-25)20(14)24)18-19(22(27)23-21(18)26)16-11-28-17-8-3-2-6-13(16)17/h2-9,11,25H,10H2,1H3,(H,23,26,27)
InChIKeyQHRXZUMETMHYMU-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.98
Rot. Bonds3

About 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione

3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione (PubChem CID 44582836) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
PubChem CID44582836
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(CO)c21
InChIInChI=1S/C22H16N2O4/c1-24-9-15(14-7-4-5-12(10-25)20(14)24)18-19(22(27)23-21(18)26)16-11-28-17-8-3-2-6-13(16)17/h2-9,11,25H,10H2,1H3,(H,23,26,27)
InChIKeyQHRXZUMETMHYMU-UHFFFAOYSA-N
XLogP2.98
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Elraglusib
CID 44582816
1-(4-benzoylpiperazin-1-yl)-2-[7-(2-furyl)-4-methoxy-1H-indol-3-yl]ethane-1,2-dione
CID 507825
3-(benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 16741475
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
3-(5-Fluoro-6-Iodo-1-Methyl-1h-Indol-3-Yl)-4-(7-Methoxy-1-Benzofuran-3-Yl)-1h-Pyrrole-2,5-Dione
CID 24825779
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
3-(5-methoxybenzofuran-7-yl)-4-(1-(2-(4-methylpiperazin-1-yl)ethyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 44219658
3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxymethylbenzofuran-3-yl)pyrrole-2,5-dione
CID 44582642
3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxymethylbenzofuran-3-yl)pyrrole-2,5-dione
CID 44582684
3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-hydroxymethylbenzofuran-3-yl)pyrrole-2,5-dione
CID 44582745
3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 44582838
3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5d)
CID 118704633

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione (CID 44582836) is 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione is Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(CO)c21.
What is the InChIKey of 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The InChIKey is QHRXZUMETMHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-24-9-15(14-7-4-5-12(10-25)20(14)24)18-19(22(27)23-21(18)26)16-11-28-17-8-3-2-6-13(16)17/h2-9,11,25H,10H2,1H3,(H,23,26,27).
What are the key properties of 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione has a molecular weight of 372.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-4-[7-(hydroxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 44582836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).