2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide

C29H32ClN3O2 — CID 16993692

About 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide

2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993692) has the molecular formula C29H32ClN3O2 and a molecular weight of 490.05 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993692
• Molecular Formula: C29H32ClN3O2
• Molecular Weight: 490.05 g/mol
• Exact Mass: 489.22
• IUPAC Name: 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: Cc1ccccc1OCCn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21
• InChI: InChI=1S/C29H32ClN3O2/c1-22-11-4-9-16-27(22)35-20-19-33-26-15-8-7-14-25(26)32-28(33)17-3-2-10-18-31-29(34)21-23-12-5-6-13-24(23)30/h4-9,11-16H,2-3,10,17-21H2,1H3,(H,31,34)
• InChIKey: YFDYVPDEEHJIHZ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.05
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993692) is 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is Cc1ccccc1OCCn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21.

What is the InChIKey of 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is YFDYVPDEEHJIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O2/c1-22-11-4-9-16-27(22)35-20-19-33-26-15-8-7-14-25(26)32-28(33)17-3-2-10-18-31-29(34)21-23-12-5-6-13-24(23)30/h4-9,11-16H,2-3,10,17-21H2,1H3,(H,31,34).

What are the key properties of 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 490.05 g/mol, XLogP of 6.15, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).