N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide

C58H62N12O6 — CID 71588811

About N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide

N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 71588811) has the molecular formula C58H62N12O6 and a molecular weight of 1023.21 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 71588811
• Molecular Formula: C58H62N12O6
• Molecular Weight: 1023.21 g/mol
• Exact Mass: 1022.49
• IUPAC Name: N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
• SMILES: CN(C)CCCNC(=O)c1ccc2nc(-c3ccc4nc(-c5ccc(OCCOCCOCCOc6ccc(-c7nc8ccc(-c9nc%10ccc(C(=O)NCCCN(C)C)cc%10[nH]9)cc8[nH]7)cc6)cc5)[nH]c4c3)[nH]c2c1
• InChI: InChI=1S/C58H62N12O6/c1-69(2)25-5-23-59-57(71)41-13-21-47-51(35-41)67-55(63-47)39-11-19-45-49(33-39)65-53(61-45)37-7-15-43(16-8-37)75-31-29-73-27-28-74-30-32-76-44-17-9-38(10-18-44)54-62-46-20-12-40(34-50(46)66-54)56-64-48-22-14-42(36-52(48)68-56)58(72)60-24-6-26-70(3)4/h7-22,33-36H,5-6,23-32H2,1-4H3,(H,59,71)(H,60,72)(H,61,65)(H,62,66)(H,63,67)(H,64,68)
• InChIKey: FMNCPOHVIUDCCK-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 216.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1023.21
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide (CID 71588811) is N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide is CN(C)CCCNC(=O)c1ccc2nc(-c3ccc4nc(-c5ccc(OCCOCCOCCOc6ccc(-c7nc8ccc(-c9nc%10ccc(C(=O)NCCCN(C)C)cc%10[nH]9)cc8[nH]7)cc6)cc5)[nH]c4c3)[nH]c2c1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide?

The InChIKey is FMNCPOHVIUDCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H62N12O6/c1-69(2)25-5-23-59-57(71)41-13-21-47-51(35-41)67-55(63-47)39-11-19-45-49(33-39)65-53(61-45)37-7-15-43(16-8-37)75-31-29-73-27-28-74-30-32-76-44-17-9-38(10-18-44)54-62-46-20-12-40(34-50(46)66-54)56-64-48-22-14-42(36-52(48)68-56)58(72)60-24-6-26-70(3)4/h7-22,33-36H,5-6,23-32H2,1-4H3,(H,59,71)(H,60,72)(H,61,65)(H,62,66)(H,63,67)(H,64,68).

What are the key properties of N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide?

N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 1023.21 g/mol, XLogP of 8.71, 25 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71588811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).