3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C50H44N8O7 — CID 174286053

About 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 174286053) has the molecular formula C50H44N8O7 and a molecular weight of 868.95 g/mol. Its IUPAC name is 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 174286053
• Molecular Formula: C50H44N8O7
• Molecular Weight: 868.95 g/mol
• Exact Mass: 868.33
• IUPAC Name: 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cc1cc(-c2cc(-c3c(-c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)ncn3C)cc3c2OCC3)cc(C)c1-c1c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)ncn1C
• InChI: InChI=1S/C50H44N8O7/c1-25-15-30(16-26(2)41(25)45-43(52-24-56(45)4)28-6-8-35-33(18-28)22-58(50(35)64)38-10-12-40(60)54-48(38)62)36-20-31(19-29-13-14-65-46(29)36)44-42(51-23-55(44)3)27-5-7-34-32(17-27)21-57(49(34)63)37-9-11-39(59)53-47(37)61/h5-8,15-20,23-24,37-38H,9-14,21-22H2,1-4H3,(H,53,59,61)(H,54,60,62)
• InChIKey: OVGVSJWMPCRDEC-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 177.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	868.95
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 174286053) is 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1cc(-c2cc(-c3c(-c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)ncn3C)cc3c2OCC3)cc(C)c1-c1c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)ncn1C.

What is the InChIKey of 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is OVGVSJWMPCRDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N8O7/c1-25-15-30(16-26(2)41(25)45-43(52-24-56(45)4)28-6-8-35-33(18-28)22-58(50(35)64)38-10-12-40(60)54-48(38)62)36-20-31(19-29-13-14-65-46(29)36)44-42(51-23-55(44)3)27-5-7-34-32(17-27)21-57(49(34)63)37-9-11-39(59)53-47(37)61/h5-8,15-20,23-24,37-38H,9-14,21-22H2,1-4H3,(H,53,59,61)(H,54,60,62).

What are the key properties of 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 868.95 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[5-[7-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-3,5-dimethylphenyl]-2,3-dihydro-1-benzofuran-5-yl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 174286053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).