1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine

C46H56N6O2 — CID 123399405

About 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine

1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine (PubChem CID 123399405) has the molecular formula C46H56N6O2 and a molecular weight of 724.99 g/mol. Its IUPAC name is 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine.

Molecular Properties

• Compound Name: 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine
• PubChem CID: 123399405
• Molecular Formula: C46H56N6O2
• Molecular Weight: 724.99 g/mol
• Exact Mass: 724.45
• IUPAC Name: 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine
• SMILES: CC(C)(C)C(NCCOCc1ccccc1)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(NCCOCc5ccccc5)C(C)(C)C)[nH]4)cc3)cc2)[nH]1
• InChI: InChI=1S/C46H56N6O2/c1-45(2,3)41(47-25-27-53-31-33-13-9-7-10-14-33)43-49-29-39(51-43)37-21-17-35(18-22-37)36-19-23-38(24-20-36)40-30-50-44(52-40)42(46(4,5)6)48-26-28-54-32-34-15-11-8-12-16-34/h7-24,29-30,41-42,47-48H,25-28,31-32H2,1-6H3,(H,49,51)(H,50,52)
• InChIKey: UHWWJPGFNVVLFY-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 99.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.99
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	4
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 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine?

The IUPAC name of 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine (CID 123399405) is 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine.

What is the SMILES notation for 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine?

The canonical SMILES for 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine is CC(C)(C)C(NCCOCc1ccccc1)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(NCCOCc5ccccc5)C(C)(C)C)[nH]4)cc3)cc2)[nH]1.

What is the InChIKey of 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine?

The InChIKey is UHWWJPGFNVVLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H56N6O2/c1-45(2,3)41(47-25-27-53-31-33-13-9-7-10-14-33)43-49-29-39(51-43)37-21-17-35(18-22-37)36-19-23-38(24-20-36)40-30-50-44(52-40)42(46(4,5)6)48-26-28-54-32-34-15-11-8-12-16-34/h7-24,29-30,41-42,47-48H,25-28,31-32H2,1-6H3,(H,49,51)(H,50,52).

What are the key properties of 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine?

1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine has a molecular weight of 724.99 g/mol, XLogP of 9.92, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[4-[2-[2,2-dimethyl-1-(2-phenylmethoxyethylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-N-(2-phenylmethoxyethyl)propan-1-amine is sourced from PubChem (CID 123399405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).