2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide

C29H33N3O3 — CID 16994015

About 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide

2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16994015) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16994015
• Molecular Formula: C29H33N3O3
• Molecular Weight: 471.60 g/mol
• Exact Mass: 471.25
• IUPAC Name: 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
• SMILES: COc1ccc(CC(=O)NCCCCCc2nc3ccccc3n2CCOc2ccccc2)cc1
• InChI: InChI=1S/C29H33N3O3/c1-34-24-17-15-23(16-18-24)22-29(33)30-19-9-3-6-14-28-31-26-12-7-8-13-27(26)32(28)20-21-35-25-10-4-2-5-11-25/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-22H2,1H3,(H,30,33)
• InChIKey: GQVLSENXSRSAEI-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.60
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide (CID 16994015) is 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide is COc1ccc(CC(=O)NCCCCCc2nc3ccccc3n2CCOc2ccccc2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is GQVLSENXSRSAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-34-24-17-15-23(16-18-24)22-29(33)30-19-9-3-6-14-28-31-26-12-7-8-13-27(26)32(28)20-21-35-25-10-4-2-5-11-25/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-22H2,1H3,(H,30,33).

What are the key properties of 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide?

2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 471.60 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16994015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).