N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

C22H20N4O3S — CID 35848049

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 35848049) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
• PubChem CID: 35848049
• Molecular Formula: C22H20N4O3S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.13
• IUPAC Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
• SMILES: CCn1c(=O)n(CC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c2ccccc21
• InChI: InChI=1S/C22H20N4O3S/c1-2-25-17-5-3-4-6-18(17)26(22(25)28)12-20(27)24-21-23-16(13-30-21)14-7-8-19-15(11-14)9-10-29-19/h3-8,11,13H,2,9-10,12H2,1H3,(H,23,24,27)
• InChIKey: DMVXSFLEDNRZRR-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?

The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (CID 35848049) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.

What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?

The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is CCn1c(=O)n(CC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c2ccccc21.

What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?

The InChIKey is DMVXSFLEDNRZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-2-25-17-5-3-4-6-18(17)26(22(25)28)12-20(27)24-21-23-16(13-30-21)14-7-8-19-15(11-14)9-10-29-19/h3-8,11,13H,2,9-10,12H2,1H3,(H,23,24,27).

What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 35848049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).