3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione

C24H20N2O5 — CID 44582855

IUPAC3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
SMILESCOCc1cccc2c(C3=C(c4coc5cc(CO)ccc45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C24H20N2O5/c1-26-9-17(16-5-3-4-14(11-30-2)22(16)26)20-21(24(29)25-23(20)28)18-12-31-19-8-13(10-27)6-7-15(18)19/h3-9,12,27H,10-11H2,1-2H3,(H,25,28,29)
InChIKeySYDMGVUQGZKVBH-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.13
Rot. Bonds5

About 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione

3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione (PubChem CID 44582855) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
PubChem CID44582855
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione
SMILESCOCc1cccc2c(C3=C(c4coc5cc(CO)ccc45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C24H20N2O5/c1-26-9-17(16-5-3-4-14(11-30-2)22(16)26)20-21(24(29)25-23(20)28)18-12-31-19-8-13(10-27)6-7-15(18)19/h3-9,12,27H,10-11H2,1-2H3,(H,25,28,29)
InChIKeySYDMGVUQGZKVBH-UHFFFAOYSA-N
XLogP3.13
TPSA93.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-Furo[3,2-c]pyridin-7-yl-4-(10-propanoyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)pyrrole-2,5-dione
CID 44389357
3-(10-Acetyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-4-furo[3,2-c]pyridin-7-ylpyrrole-2,5-dione
CID 44389443
3-(1-Benzofuran-3-yl)-4-[10-(2-pyridin-4-ylacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione
CID 71733739

Frequently Asked Questions

What is the IUPAC name of 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione (CID 44582855) is 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione is COCc1cccc2c(C3=C(c4coc5cc(CO)ccc45)C(=O)NC3=O)cn(C)c12.
What is the InChIKey of 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
The InChIKey is SYDMGVUQGZKVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-26-9-17(16-5-3-4-14(11-30-2)22(16)26)20-21(24(29)25-23(20)28)18-12-31-19-8-13(10-27)6-7-15(18)19/h3-9,12,27H,10-11H2,1-2H3,(H,25,28,29).
What are the key properties of 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione?
3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione has a molecular weight of 416.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(hydroxymethyl)-1-benzofuran-3-yl]-4-[7-(methoxymethyl)-1-methylindol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 44582855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).