2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

C30H35N3O3 — CID 16978654

About 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16978654) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16978654
• Molecular Formula: C30H35N3O3
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.27
• IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: Cc1ccc(C)c(OCC(=O)NCCc2nc3ccccc3n2CCOc2ccccc2C(C)C)c1
• InChI: InChI=1S/C30H35N3O3/c1-21(2)24-9-5-8-12-27(24)35-18-17-33-26-11-7-6-10-25(26)32-29(33)15-16-31-30(34)20-36-28-19-22(3)13-14-23(28)4/h5-14,19,21H,15-18,20H2,1-4H3,(H,31,34)
• InChIKey: ZNLAYOWPONQMQA-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?

The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16978654) is 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is Cc1ccc(C)c(OCC(=O)NCCc2nc3ccccc3n2CCOc2ccccc2C(C)C)c1.

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

The InChIKey is ZNLAYOWPONQMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-21(2)24-9-5-8-12-27(24)35-18-17-33-26-11-7-6-10-25(26)32-29(33)15-16-31-30(34)20-36-28-19-22(3)13-14-23(28)4/h5-14,19,21H,15-18,20H2,1-4H3,(H,31,34).

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

2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 485.63 g/mol, XLogP of 5.59, 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-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16978654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).