3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C19H17N5O3 — CID 166382841

About 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 166382841) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• PubChem CID: 166382841
• Molecular Formula: C19H17N5O3
• Molecular Weight: 363.38 g/mol
• Exact Mass: 363.13
• IUPAC Name: 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• SMILES: Cc1cccc(C(=O)NC(C)c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c1
• InChI: InChI=1S/C19H17N5O3/c1-10-4-3-5-13(8-10)17(25)20-11(2)18-23-16(24-27-18)12-6-7-14-15(9-12)22-19(26)21-14/h3-9,11H,1-2H3,(H,20,25)(H2,21,22,26)
• InChIKey: AUGYTDVDTQGMDS-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 116.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.38
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The IUPAC name of 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 166382841) is 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

What is the SMILES notation for 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The canonical SMILES for 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is Cc1cccc(C(=O)NC(C)c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c1.

What is the InChIKey of 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The InChIKey is AUGYTDVDTQGMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-10-4-3-5-13(8-10)17(25)20-11(2)18-23-16(24-27-18)12-6-7-14-15(9-12)22-19(26)21-14/h3-9,11H,1-2H3,(H,20,25)(H2,21,22,26).

What are the key properties of 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 363.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 166382841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).