2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide

C32H38ClN3O2 — CID 16993766

About 2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide

2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993766) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993766
• Molecular Formula: C32H38ClN3O2
• Molecular Weight: 532.13 g/mol
• Exact Mass: 531.27
• IUPAC Name: 2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: CCc1ccc(OCCCCn2c(CCCCCNC(=O)Cc3ccccc3Cl)nc3ccccc32)cc1
• InChI: InChI=1S/C32H38ClN3O2/c1-2-25-17-19-27(20-18-25)38-23-11-10-22-36-30-15-8-7-14-29(30)35-31(36)16-4-3-9-21-34-32(37)24-26-12-5-6-13-28(26)33/h5-8,12-15,17-20H,2-4,9-11,16,21-24H2,1H3,(H,34,37)
• InChIKey: UYNOOBIUCMVBQL-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.13
LogP ≤ 5	7.18
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-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993766) is 2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

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

The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is CCc1ccc(OCCCCn2c(CCCCCNC(=O)Cc3ccccc3Cl)nc3ccccc32)cc1.

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

The InChIKey is UYNOOBIUCMVBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c1-2-25-17-19-27(20-18-25)38-23-11-10-22-36-30-15-8-7-14-29(30)35-31(36)16-4-3-9-21-34-32(37)24-26-12-5-6-13-28(26)33/h5-8,12-15,17-20H,2-4,9-11,16,21-24H2,1H3,(H,34,37).

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

2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 532.13 g/mol, XLogP of 7.18, 15 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-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).