4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol

C33H32N4O3 — CID 158597782

About 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol

4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol (PubChem CID 158597782) has the molecular formula C33H32N4O3 and a molecular weight of 532.64 g/mol. Its IUPAC name is 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol.

Molecular Properties

• Compound Name: 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol
• PubChem CID: 158597782
• Molecular Formula: C33H32N4O3
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.25
• IUPAC Name: 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol
• SMILES: CN(C)CCOCCOc1ccc(-c2nc3ccc(-c4ccc5c(c4)N=C(c4ccc(O)cc4)C5)cc3[nH]2)cc1
• InChI: InChI=1S/C33H32N4O3/c1-37(2)15-16-39-17-18-40-28-12-7-23(8-13-28)33-35-29-14-9-25(20-32(29)36-33)24-3-4-26-21-30(34-31(26)19-24)22-5-10-27(38)11-6-22/h3-14,19-20,38H,15-18,21H2,1-2H3,(H,35,36)
• InChIKey: HVGDAMGWKVPHQP-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 82.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol?

The IUPAC name of 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol (CID 158597782) is 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol.

What is the SMILES notation for 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol?

The canonical SMILES for 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol is CN(C)CCOCCOc1ccc(-c2nc3ccc(-c4ccc5c(c4)N=C(c4ccc(O)cc4)C5)cc3[nH]2)cc1.

What is the InChIKey of 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol?

The InChIKey is HVGDAMGWKVPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O3/c1-37(2)15-16-39-17-18-40-28-12-7-23(8-13-28)33-35-29-14-9-25(20-32(29)36-33)24-3-4-26-21-30(34-31(26)19-24)22-5-10-27(38)11-6-22/h3-14,19-20,38H,15-18,21H2,1-2H3,(H,35,36).

What are the key properties of 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol?

4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol has a molecular weight of 532.64 g/mol, XLogP of 6.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol is sourced from PubChem (CID 158597782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).