4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide

C43H45N9O6 — CID 167508468

About 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide

4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 167508468) has the molecular formula C43H45N9O6 and a molecular weight of 783.89 g/mol. Its IUPAC name is 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide
• PubChem CID: 167508468
• Molecular Formula: C43H45N9O6
• Molecular Weight: 783.89 g/mol
• Exact Mass: 783.35
• IUPAC Name: 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide
• SMILES: C[C@H]1CCCN1Cc1nc2ccc(NC(=O)c3ccc(-c4nnc(CCCC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)o4)cc3)cc2[nH]1
• InChI: InChI=1S/C43H45N9O6/c1-25-4-3-19-51(25)24-36-45-33-14-11-29(22-34(33)46-36)44-39(54)27-7-9-28(10-8-27)41-49-48-38(58-41)6-2-5-26-17-20-50(21-18-26)30-12-13-31-32(23-30)43(57)52(42(31)56)35-15-16-37(53)47-40(35)55/h7-14,22-23,25-26,35H,2-6,15-21,24H2,1H3,(H,44,54)(H,45,46)(H,47,53,55)/t25-,35?/m0/s1
• InChIKey: ZWFYNCXSGPFVCK-LLIHCOLESA-N
• XLogP: 5.49
• TPSA: 186.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	783.89
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
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 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide?

The IUPAC name of 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide (CID 167508468) is 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide.

What is the SMILES notation for 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide?

The canonical SMILES for 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide is C[C@H]1CCCN1Cc1nc2ccc(NC(=O)c3ccc(-c4nnc(CCCC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)o4)cc3)cc2[nH]1.

What is the InChIKey of 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide?

The InChIKey is ZWFYNCXSGPFVCK-LLIHCOLESA-N. The full InChI is InChI=1S/C43H45N9O6/c1-25-4-3-19-51(25)24-36-45-33-14-11-29(22-34(33)46-36)44-39(54)27-7-9-28(10-8-27)41-49-48-38(58-41)6-2-5-26-17-20-50(21-18-26)30-12-13-31-32(23-30)43(57)52(42(31)56)35-15-16-37(53)47-40(35)55/h7-14,22-23,25-26,35H,2-6,15-21,24H2,1H3,(H,44,54)(H,45,46)(H,47,53,55)/t25-,35?/m0/s1.

What are the key properties of 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide?

4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 783.89 g/mol, XLogP of 5.49, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]propyl]-1,3,4-oxadiazol-2-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 167508468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).