N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide

C45H73N3O13 — CID 132820613

About N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide (PubChem CID 132820613) has the molecular formula C45H73N3O13 and a molecular weight of 864.09 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide
• PubChem CID: 132820613
• Molecular Formula: C45H73N3O13
• Molecular Weight: 864.09 g/mol
• Exact Mass: 863.51
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(CN2C=CN(c3c(C)cc(C)cc3C)C2)cc1
• InChI: InChI=1S/C45H73N3O13/c1-39-35-40(2)44(41(3)36-39)48-11-10-47(38-48)37-42-5-7-43(8-6-42)45(49)46-9-12-51-15-16-53-19-20-55-23-24-57-27-28-59-31-32-61-34-33-60-30-29-58-26-25-56-22-21-54-18-17-52-14-13-50-4/h5-8,10-11,35-36H,9,12-34,37-38H2,1-4H3,(H,46,49)
• InChIKey: ZEGYJQARORFMLU-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 146.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 40
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.09
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide (CID 132820613) is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(CN2C=CN(c3c(C)cc(C)cc3C)C2)cc1.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide?

The InChIKey is ZEGYJQARORFMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H73N3O13/c1-39-35-40(2)44(41(3)36-39)48-11-10-47(38-48)37-42-5-7-43(8-6-42)45(49)46-9-12-51-15-16-53-19-20-55-23-24-57-27-28-59-31-32-61-34-33-60-30-29-58-26-25-56-22-21-54-18-17-52-14-13-50-4/h5-8,10-11,35-36H,9,12-34,37-38H2,1-4H3,(H,46,49).

What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide?

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide has a molecular weight of 864.09 g/mol, XLogP of 3.92, 40 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 132820613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).