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

C29H32ClN3O3 — CID 16993701

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

2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993701) has the molecular formula C29H32ClN3O3 and a molecular weight of 506.05 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993701
• Molecular Formula: C29H32ClN3O3
• Molecular Weight: 506.05 g/mol
• Exact Mass: 505.21
• IUPAC Name: 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: COc1ccccc1OCCn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21
• InChI: InChI=1S/C29H32ClN3O3/c1-35-26-15-8-9-16-27(26)36-20-19-33-25-14-7-6-13-24(25)32-28(33)17-3-2-10-18-31-29(34)21-22-11-4-5-12-23(22)30/h4-9,11-16H,2-3,10,17-21H2,1H3,(H,31,34)
• InChIKey: BUFVTGMVGQBLBL-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.05
LogP ≤ 5	5.85
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-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993701) is 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

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

The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is COc1ccccc1OCCn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21.

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

The InChIKey is BUFVTGMVGQBLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O3/c1-35-26-15-8-9-16-27(26)36-20-19-33-25-14-7-6-13-24(25)32-28(33)17-3-2-10-18-31-29(34)21-22-11-4-5-12-23(22)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-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 506.05 g/mol, XLogP of 5.85, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).