2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C17H15N5O3S — CID 47082712

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 47082712) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• PubChem CID: 47082712
• Molecular Formula: C17H15N5O3S
• Molecular Weight: 369.41 g/mol
• Exact Mass: 369.09
• IUPAC Name: 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• SMILES: Cn1c(=O)n(CC(=O)NCc2noc(-c3ccsc3)n2)c2ccccc21
• InChI: InChI=1S/C17H15N5O3S/c1-21-12-4-2-3-5-13(12)22(17(21)24)9-15(23)18-8-14-19-16(25-20-14)11-6-7-26-10-11/h2-7,10H,8-9H2,1H3,(H,18,23)
• InChIKey: KSFXKCNPCSJOLJ-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 94.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.41
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?

The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 47082712) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?

The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is Cn1c(=O)n(CC(=O)NCc2noc(-c3ccsc3)n2)c2ccccc21.

What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?

The InChIKey is KSFXKCNPCSJOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-21-12-4-2-3-5-13(12)22(17(21)24)9-15(23)18-8-14-19-16(25-20-14)11-6-7-26-10-11/h2-7,10H,8-9H2,1H3,(H,18,23).

What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 369.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 47082712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).