2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide

C21H22N4O3 — CID 90564912

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 90564912) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
• PubChem CID: 90564912
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
• SMILES: Cc1nccn1-c1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cn1
• InChI: InChI=1S/C21H22N4O3/c1-14-22-9-10-25(14)18-8-7-16(12-23-18)24-19(26)13-27-17-6-4-5-15-11-21(2,3)28-20(15)17/h4-10,12H,11,13H2,1-3H3,(H,24,26)
• InChIKey: GUSDJCUAOPOIIU-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide (CID 90564912) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide is Cc1nccn1-c1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cn1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?

The InChIKey is GUSDJCUAOPOIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-22-9-10-25(14)18-8-7-16(12-23-18)24-19(26)13-27-17-6-4-5-15-11-21(2,3)28-20(15)17/h4-10,12H,11,13H2,1-3H3,(H,24,26).

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90564912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).