N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide

C31H37N3O2 — CID 16993574

About N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide

N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide (PubChem CID 16993574) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
• PubChem CID: 16993574
• Molecular Formula: C31H37N3O2
• Molecular Weight: 483.66 g/mol
• Exact Mass: 483.29
• IUPAC Name: N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
• SMILES: Cc1ccc(OCCCn2c(CCCCCNC(=O)Cc3ccccc3C)nc3ccccc32)cc1
• InChI: InChI=1S/C31H37N3O2/c1-24-16-18-27(19-17-24)36-22-10-21-34-29-14-8-7-13-28(29)33-30(34)15-4-3-9-20-32-31(35)23-26-12-6-5-11-25(26)2/h5-8,11-14,16-19H,3-4,9-10,15,20-23H2,1-2H3,(H,32,35)
• InChIKey: ZAPUTWRUAYTPPZ-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.66
LogP ≤ 5	6.19
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 N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide (CID 16993574) is N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide.

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

The canonical SMILES for N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide is Cc1ccc(OCCCn2c(CCCCCNC(=O)Cc3ccccc3C)nc3ccccc32)cc1.

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

The InChIKey is ZAPUTWRUAYTPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-24-16-18-27(19-17-24)36-22-10-21-34-29-14-8-7-13-28(29)33-30(34)15-4-3-9-20-32-31(35)23-26-12-6-5-11-25(26)2/h5-8,11-14,16-19H,3-4,9-10,15,20-23H2,1-2H3,(H,32,35).

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

N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide has a molecular weight of 483.66 g/mol, XLogP of 6.19, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16993574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).