4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide

C71H70N14O4 — CID 138649534

About 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide

4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide (PubChem CID 138649534) has the molecular formula C71H70N14O4 and a molecular weight of 1183.43 g/mol. Its IUPAC name is 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide.

Molecular Properties

• Compound Name: 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide
• PubChem CID: 138649534
• Molecular Formula: C71H70N14O4
• Molecular Weight: 1183.43 g/mol
• Exact Mass: 1182.57
• IUPAC Name: 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide
• SMILES: CN(C)CCNC(=O)c1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(C(=O)NCCCCCCCNC(=O)c7ccc(-c8nc9cc(-c%10ccc%11[nH]c(-c%12ccc(C(=O)NCCN(C)C)cc%12)nc%11c%10)ccc9[nH]8)cc7)cc6)nc5c4)ccc3[nH]2)cc1
• InChI: InChI=1S/C71H70N14O4/c1-84(2)38-36-74-70(88)50-22-14-46(15-23-50)66-78-58-32-28-54(42-62(58)82-66)52-26-30-56-60(40-52)80-64(76-56)44-10-18-48(19-11-44)68(86)72-34-8-6-5-7-9-35-73-69(87)49-20-12-45(13-21-49)65-77-57-31-27-53(41-61(57)81-65)55-29-33-59-63(43-55)83-67(79-59)47-16-24-51(25-17-47)71(89)75-37-39-85(3)4/h10-33,40-43H,5-9,34-39H2,1-4H3,(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,76,80)(H,77,81)(H,78,82)(H,79,83)
• InChIKey: CMKXBNSNBSBIOO-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 237.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.43
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	8
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 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide?

The IUPAC name of 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide (CID 138649534) is 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide.

What is the SMILES notation for 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide?

The canonical SMILES for 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide is CN(C)CCNC(=O)c1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(C(=O)NCCCCCCCNC(=O)c7ccc(-c8nc9cc(-c%10ccc%11[nH]c(-c%12ccc(C(=O)NCCN(C)C)cc%12)nc%11c%10)ccc9[nH]8)cc7)cc6)nc5c4)ccc3[nH]2)cc1.

What is the InChIKey of 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide?

The InChIKey is CMKXBNSNBSBIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H70N14O4/c1-84(2)38-36-74-70(88)50-22-14-46(15-23-50)66-78-58-32-28-54(42-62(58)82-66)52-26-30-56-60(40-52)80-64(76-56)44-10-18-48(19-11-44)68(86)72-34-8-6-5-7-9-35-73-69(87)49-20-12-45(13-21-49)65-77-57-31-27-53(41-61(57)81-65)55-29-33-59-63(43-55)83-67(79-59)47-16-24-51(25-17-47)71(89)75-37-39-85(3)4/h10-33,40-43H,5-9,34-39H2,1-4H3,(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,76,80)(H,77,81)(H,78,82)(H,79,83).

What are the key properties of 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide?

4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide has a molecular weight of 1183.43 g/mol, XLogP of 11.89, 24 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide is sourced from PubChem (CID 138649534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).