2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide

C29H32ClN3O3 — CID 16993877

About 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide

2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993877) has the molecular formula C29H32ClN3O3 and a molecular weight of 506.05 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993877
• Molecular Formula: C29H32ClN3O3
• Molecular Weight: 506.05 g/mol
• Exact Mass: 505.21
• IUPAC Name: 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: COc1cccc(OCCn2c(CCCCCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)c1
• InChI: InChI=1S/C29H32ClN3O3/c1-35-24-8-7-9-25(21-24)36-19-18-33-27-11-5-4-10-26(27)32-28(33)12-3-2-6-17-31-29(34)20-22-13-15-23(30)16-14-22/h4-5,7-11,13-16,21H,2-3,6,12,17-20H2,1H3,(H,31,34)
• InChIKey: VURABOGLOPTBLG-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-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993877) is 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is COc1cccc(OCCn2c(CCCCCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)c1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is VURABOGLOPTBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O3/c1-35-24-8-7-9-25(21-24)36-19-18-33-27-11-5-4-10-26(27)32-28(33)12-3-2-6-17-31-29(34)20-22-13-15-23(30)16-14-22/h4-5,7-11,13-16,21H,2-3,6,12,17-20H2,1H3,(H,31,34).

What are the key properties of 2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

2-(4-chlorophenyl)-N-[5-[1-[2-(3-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-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).