2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide

C32H39N3O2 — CID 16993414

About 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide

2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993414) has the molecular formula C32H39N3O2 and a molecular weight of 497.68 g/mol. Its IUPAC name is 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993414
• Molecular Formula: C32H39N3O2
• Molecular Weight: 497.68 g/mol
• Exact Mass: 497.30
• IUPAC Name: 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: CC(C)c1ccc(OCCCn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1
• InChI: InChI=1S/C32H39N3O2/c1-25(2)27-17-19-28(20-18-27)37-23-11-22-35-30-15-9-8-14-29(30)34-31(35)16-7-4-10-21-33-32(36)24-26-12-5-3-6-13-26/h3,5-6,8-9,12-15,17-20,25H,4,7,10-11,16,21-24H2,1-2H3,(H,33,36)
• InChIKey: OKTCLGPMJQDHHE-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.68
LogP ≤ 5	6.70
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-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993414) is 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide is CC(C)c1ccc(OCCCn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1.

What is the InChIKey of 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is OKTCLGPMJQDHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O2/c1-25(2)27-17-19-28(20-18-27)37-23-11-22-35-30-15-9-8-14-29(30)34-31(35)16-7-4-10-21-33-32(36)24-26-12-5-3-6-13-26/h3,5-6,8-9,12-15,17-20,25H,4,7,10-11,16,21-24H2,1-2H3,(H,33,36).

What are the key properties of 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide?

2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 497.68 g/mol, XLogP of 6.70, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).