2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

C44H61N7O13 — CID 164717185

About 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 164717185) has the molecular formula C44H61N7O13 and a molecular weight of 896.01 g/mol. Its IUPAC name is 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
• PubChem CID: 164717185
• Molecular Formula: C44H61N7O13
• Molecular Weight: 896.01 g/mol
• Exact Mass: 895.43
• IUPAC Name: 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
• SMILES: C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1CCOCCOCCOCCOCCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C44H61N7O13/c1-44(43-47-34-8-3-6-32(39(45)53)38(34)49-43)11-4-13-50(44)14-16-58-18-20-60-22-24-62-26-28-64-30-29-63-27-25-61-23-21-59-19-17-57-15-12-46-33-7-2-5-31-37(33)42(56)51(41(31)55)35-9-10-36(52)48-40(35)54/h2-3,5-8,35,46H,4,9-30H2,1H3,(H2,45,53)(H,47,49)(H,48,52,54)/t35?,44-/m1/s1
• InChIKey: ZAHZEHPEBBAQMQ-CJNNQQPQSA-N
• XLogP: 1.62
• TPSA: 244.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 31
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.01
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?

The IUPAC name of 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 164717185) is 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?

The canonical SMILES for 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1CCOCCOCCOCCOCCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?

The InChIKey is ZAHZEHPEBBAQMQ-CJNNQQPQSA-N. The full InChI is InChI=1S/C44H61N7O13/c1-44(43-47-34-8-3-6-32(39(45)53)38(34)49-43)11-4-13-50(44)14-16-58-18-20-60-22-24-62-26-28-64-30-29-63-27-25-61-23-21-59-19-17-57-15-12-46-33-7-2-5-31-37(33)42(56)51(41(31)55)35-9-10-36(52)48-40(35)54/h2-3,5-8,35,46H,4,9-30H2,1H3,(H2,45,53)(H,47,49)(H,48,52,54)/t35?,44-/m1/s1.

What are the key properties of 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?

2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 896.01 g/mol, XLogP of 1.62, 31 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 164717185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).