N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide

C69H65N13O4 — CID 160620910

About N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide

N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide (PubChem CID 160620910) has the molecular formula C69H65N13O4 and a molecular weight of 1140.37 g/mol. Its IUPAC name is N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide
• PubChem CID: 160620910
• Molecular Formula: C69H65N13O4
• Molecular Weight: 1140.37 g/mol
• Exact Mass: 1139.53
• IUPAC Name: N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide
• SMILES: CN(C)CCNC(=O)c1ccc(-c2nc3cc(-c4ccc5c(c4)N=C(c4ccc(C(=O)NCCCCNC(=O)c6ccc(-c7nc8cc(-c9ccc%10[nH]c(-c%11ccc(C(=O)NCCN(C)C)cc%11)nc%10c9)ccc8[nH]7)cc6)cc4)C5)ccc3[nH]2)cc1
• InChI: InChI=1S/C69H65N13O4/c1-81(2)35-33-72-68(85)48-19-11-44(12-20-48)64-75-55-28-25-51(38-60(55)78-64)50-23-24-54-41-58(74-59(54)37-50)42-7-15-46(16-8-42)66(83)70-31-5-6-32-71-67(84)47-17-9-43(10-18-47)63-76-56-29-26-52(39-61(56)79-63)53-27-30-57-62(40-53)80-65(77-57)45-13-21-49(22-14-45)69(86)73-34-36-82(3)4/h7-30,37-40H,5-6,31-36,41H2,1-4H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86)(H,75,78)(H,76,79)(H,77,80)
• InChIKey: RGRNLLHDFBMIJS-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 221.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.37
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide?

The IUPAC name of N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide (CID 160620910) is N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide.

What is the SMILES notation for N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide?

The canonical SMILES for N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide is CN(C)CCNC(=O)c1ccc(-c2nc3cc(-c4ccc5c(c4)N=C(c4ccc(C(=O)NCCCCNC(=O)c6ccc(-c7nc8cc(-c9ccc%10[nH]c(-c%11ccc(C(=O)NCCN(C)C)cc%11)nc%10c9)ccc8[nH]7)cc6)cc4)C5)ccc3[nH]2)cc1.

What is the InChIKey of N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide?

The InChIKey is RGRNLLHDFBMIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H65N13O4/c1-81(2)35-33-72-68(85)48-19-11-44(12-20-48)64-75-55-28-25-51(38-60(55)78-64)50-23-24-54-41-58(74-59(54)37-50)42-7-15-46(16-8-42)66(83)70-31-5-6-32-71-67(84)47-17-9-43(10-18-47)63-76-56-29-26-52(39-61(56)79-63)53-27-30-57-62(40-53)80-65(77-57)45-13-21-49(22-14-45)69(86)73-34-36-82(3)4/h7-30,37-40H,5-6,31-36,41H2,1-4H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86)(H,75,78)(H,76,79)(H,77,80).

What are the key properties of N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide?

N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide has a molecular weight of 1140.37 g/mol, XLogP of 10.85, 21 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide is sourced from PubChem (CID 160620910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).