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

C43H45N9O7 — CID 167508301

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

4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 167508301) has the molecular formula C43H45N9O7 and a molecular weight of 799.89 g/mol. Its IUPAC name is 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-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-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide
• PubChem CID: 167508301
• Molecular Formula: C43H45N9O7
• Molecular Weight: 799.89 g/mol
• Exact Mass: 799.34
• IUPAC Name: 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide
• SMILES: C[C@H]1C[C@H](O)CN1Cc1nc2ccc(NC(=O)c3ccc(-c4noc(CCCC5CCN(c6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)n4)cc3)cc2[nH]1
• InChI: InChI=1S/C43H45N9O7/c1-24-20-29(53)22-51(24)23-35-45-31-13-12-28(21-32(31)46-35)44-40(55)27-10-8-26(9-11-27)39-48-37(59-49-39)7-2-4-25-16-18-50(19-17-25)33-6-3-5-30-38(33)43(58)52(42(30)57)34-14-15-36(54)47-41(34)56/h3,5-6,8-13,21,24-25,29,34,53H,2,4,7,14-20,22-23H2,1H3,(H,44,55)(H,45,46)(H,47,54,56)/t24-,29-,34?/m0/s1
• InChIKey: ZGKNGCRLBGFUFF-MDOVHILFSA-N
• XLogP: 4.46
• TPSA: 206.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.89
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-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-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide (CID 167508301) is 4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-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-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-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-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide is C[C@H]1C[C@H](O)CN1Cc1nc2ccc(NC(=O)c3ccc(-c4noc(CCCC5CCN(c6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)n4)cc3)cc2[nH]1.

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

The InChIKey is ZGKNGCRLBGFUFF-MDOVHILFSA-N. The full InChI is InChI=1S/C43H45N9O7/c1-24-20-29(53)22-51(24)23-35-45-31-13-12-28(21-32(31)46-35)44-40(55)27-10-8-26(9-11-27)39-48-37(59-49-39)7-2-4-25-16-18-50(19-17-25)33-6-3-5-30-38(33)43(58)52(42(30)57)34-14-15-36(54)47-41(34)56/h3,5-6,8-13,21,24-25,29,34,53H,2,4,7,14-20,22-23H2,1H3,(H,44,55)(H,45,46)(H,47,54,56)/t24-,29-,34?/m0/s1.

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

4-[5-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 799.89 g/mol, XLogP of 4.46, 11 rotatable bonds, 4 hydrogen bond donors, and 12 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-4-yl]piperidin-4-yl]propyl]-1,2,4-oxadiazol-3-yl]-N-[2-[[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 167508301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).