1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C17H19N5O2S — CID 118770411

About 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 118770411) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
• PubChem CID: 118770411
• Molecular Formula: C17H19N5O2S
• Molecular Weight: 357.44 g/mol
• Exact Mass: 357.13
• IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
• SMILES: Cc1nnc(SCC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)o1
• InChI: InChI=1S/C17H19N5O2S/c1-11-20-21-17(24-11)25-10-15(23)22-8-4-5-12(9-22)16-18-13-6-2-3-7-14(13)19-16/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,19)
• InChIKey: VJYHGCWPAFXOMT-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.44
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 118770411) is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)o1.

What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The InChIKey is VJYHGCWPAFXOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-20-21-17(24-11)25-10-15(23)22-8-4-5-12(9-22)16-18-13-6-2-3-7-14(13)19-16/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,19).

What are the key properties of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 357.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 118770411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).