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

C30H34ClN3O4 — CID 16993214

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

2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993214) has the molecular formula C30H34ClN3O4 and a molecular weight of 536.07 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993214
• Molecular Formula: C30H34ClN3O4
• Molecular Weight: 536.07 g/mol
• Exact Mass: 535.22
• IUPAC Name: 2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: CCOc1ccccc1OCCn1c(CCCCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
• InChI: InChI=1S/C30H34ClN3O4/c1-2-36-27-12-7-8-13-28(27)37-21-20-34-26-11-6-5-10-25(26)33-29(34)14-4-3-9-19-32-30(35)22-38-24-17-15-23(31)16-18-24/h5-8,10-13,15-18H,2-4,9,14,19-22H2,1H3,(H,32,35)
• InChIKey: APWPJHJOTIQDMA-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.07
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993214) is 2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is CCOc1ccccc1OCCn1c(CCCCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21.

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

The InChIKey is APWPJHJOTIQDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O4/c1-2-36-27-12-7-8-13-28(27)37-21-20-34-26-11-6-5-10-25(26)33-29(34)14-4-3-9-19-32-30(35)22-38-24-17-15-23(31)16-18-24/h5-8,10-13,15-18H,2-4,9,14,19-22H2,1H3,(H,32,35).

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

2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 536.07 g/mol, XLogP of 6.08, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).