2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide

C30H34ClN3O3 — CID 16993210

About 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide

2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993210) has the molecular formula C30H34ClN3O3 and a molecular weight of 520.07 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993210
• Molecular Formula: C30H34ClN3O3
• Molecular Weight: 520.07 g/mol
• Exact Mass: 519.23
• IUPAC Name: 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: Cc1cccc(C)c1OCCn1c(CCCCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
• InChI: InChI=1S/C30H34ClN3O3/c1-22-9-8-10-23(2)30(22)36-20-19-34-27-12-6-5-11-26(27)33-28(34)13-4-3-7-18-32-29(35)21-37-25-16-14-24(31)15-17-25/h5-6,8-12,14-17H,3-4,7,13,18-21H2,1-2H3,(H,32,35)
• InChIKey: PEGPTZBMANSIPG-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.07
LogP ≤ 5	6.29
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-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993210) is 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is Cc1cccc(C)c1OCCn1c(CCCCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21.

What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is PEGPTZBMANSIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O3/c1-22-9-8-10-23(2)30(22)36-20-19-34-27-12-6-5-11-26(27)33-28(34)13-4-3-7-18-32-29(35)21-37-25-16-14-24(31)15-17-25/h5-6,8-12,14-17H,3-4,7,13,18-21H2,1-2H3,(H,32,35).

What are the key properties of 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 520.07 g/mol, XLogP of 6.29, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).