2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone

C26H25N3O4 — CID 58103503

About 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone

2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone (PubChem CID 58103503) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone
• PubChem CID: 58103503
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(CC(=O)c4ncc[nH]4)c3)n2)cc1OC
• InChI: InChI=1S/C26H25N3O4/c1-31-23-10-9-18(17-24(23)32-2)11-14-33-25-8-4-7-21(29-25)20-6-3-5-19(15-20)16-22(30)26-27-12-13-28-26/h3-10,12-13,15,17H,11,14,16H2,1-2H3,(H,27,28)
• InChIKey: IVGRXLHDOFKDMT-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone?

The IUPAC name of 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone (CID 58103503) is 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone.

What is the SMILES notation for 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone?

The canonical SMILES for 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone is COc1ccc(CCOc2cccc(-c3cccc(CC(=O)c4ncc[nH]4)c3)n2)cc1OC.

What is the InChIKey of 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone?

The InChIKey is IVGRXLHDOFKDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-31-23-10-9-18(17-24(23)32-2)11-14-33-25-8-4-7-21(29-25)20-6-3-5-19(15-20)16-22(30)26-27-12-13-28-26/h3-10,12-13,15,17H,11,14,16H2,1-2H3,(H,27,28).

What are the key properties of 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone?

2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone has a molecular weight of 443.50 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 58103503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).