N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide

C26H35N3O2 — CID 16988051

About N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide

N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide (PubChem CID 16988051) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
• PubChem CID: 16988051
• Molecular Formula: C26H35N3O2
• Molecular Weight: 421.59 g/mol
• Exact Mass: 421.27
• IUPAC Name: N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
• SMILES: CCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1c(C)cccc1C
• InChI: InChI=1S/C26H35N3O2/c1-4-25(30)27-17-9-5-6-16-24-28-22-14-7-8-15-23(22)29(24)18-11-19-31-26-20(2)12-10-13-21(26)3/h7-8,10,12-15H,4-6,9,11,16-19H2,1-3H3,(H,27,30)
• InChIKey: MTDWJWVVKKBVRZ-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.59
LogP ≤ 5	5.36
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-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?

The IUPAC name of N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide (CID 16988051) is N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide.

What is the SMILES notation for N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?

The canonical SMILES for N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide is CCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1c(C)cccc1C.

What is the InChIKey of N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?

The InChIKey is MTDWJWVVKKBVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-4-25(30)27-17-9-5-6-16-24-28-22-14-7-8-15-23(22)29(24)18-11-19-31-26-20(2)12-10-13-21(26)3/h7-8,10,12-15H,4-6,9,11,16-19H2,1-3H3,(H,27,30).

What are the key properties of N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?

N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide has a molecular weight of 421.59 g/mol, XLogP of 5.36, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide is sourced from PubChem (CID 16988051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).