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

C31H31N3O3 — CID 16972103

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

2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16972103) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16972103
• Molecular Formula: C31H31N3O3
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.24
• IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
• SMILES: Cc1ccc(C)c(OCC(=O)NC(C)c2nc3ccccc3n2CCOc2cccc3ccccc23)c1
• InChI: InChI=1S/C31H31N3O3/c1-21-15-16-22(2)29(19-21)37-20-30(35)32-23(3)31-33-26-12-6-7-13-27(26)34(31)17-18-36-28-14-8-10-24-9-4-5-11-25(24)28/h4-16,19,23H,17-18,20H2,1-3H3,(H,32,35)
• InChIKey: QWYVECWXCPVWOS-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide (CID 16972103) is 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide is Cc1ccc(C)c(OCC(=O)NC(C)c2nc3ccccc3n2CCOc2cccc3ccccc23)c1.

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

The InChIKey is QWYVECWXCPVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3/c1-21-15-16-22(2)29(19-21)37-20-30(35)32-23(3)31-33-26-12-6-7-13-27(26)34(31)17-18-36-28-14-8-10-24-9-4-5-11-25(24)28/h4-16,19,23H,17-18,20H2,1-3H3,(H,32,35).

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

2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 493.61 g/mol, XLogP of 6.14, 9 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-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16972103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).