2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide

C32H33N3O3 — CID 16978700

About 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16978700) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16978700
• Molecular Formula: C32H33N3O3
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.25
• IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide
• SMILES: Cc1ccc(C)c(OCC(=O)NCCc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)c1
• InChI: InChI=1S/C32H33N3O3/c1-23-12-13-24(2)30(20-23)38-22-32(36)33-17-16-31-34-28-10-5-6-11-29(28)35(31)18-7-19-37-27-15-14-25-8-3-4-9-26(25)21-27/h3-6,8-15,20-21H,7,16-19,22H2,1-2H3,(H,33,36)
• InChIKey: CPLBFFOTBRNRLF-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	6.01
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-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide?

The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide (CID 16978700) is 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide.

What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide?

The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide is Cc1ccc(C)c(OCC(=O)NCCc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)c1.

What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide?

The InChIKey is CPLBFFOTBRNRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c1-23-12-13-24(2)30(20-23)38-22-32(36)33-17-16-31-34-28-10-5-6-11-29(28)35(31)18-7-19-37-27-15-14-25-8-3-4-9-26(25)21-27/h3-6,8-15,20-21H,7,16-19,22H2,1-2H3,(H,33,36).

What are the key properties of 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide?

2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 507.63 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16978700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).