1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C16H16FN5O2S — CID 118780655

About 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 118780655) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
• PubChem CID: 118780655
• Molecular Formula: C16H16FN5O2S
• Molecular Weight: 361.40 g/mol
• Exact Mass: 361.10
• IUPAC Name: 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
• SMILES: Cc1nnc(SCC(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)o1
• InChI: InChI=1S/C16H16FN5O2S/c1-9-20-21-16(24-9)25-8-14(23)22-6-2-3-13(22)15-18-11-5-4-10(17)7-12(11)19-15/h4-5,7,13H,2-3,6,8H2,1H3,(H,18,19)
• InChIKey: SSIOZNUANAKXGA-UHFFFAOYSA-N
• XLogP: 2.85
• 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	361.40
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The IUPAC name of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 118780655) is 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

What is the SMILES notation for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The canonical SMILES for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)o1.

What is the InChIKey of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The InChIKey is SSIOZNUANAKXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c1-9-20-21-16(24-9)25-8-14(23)22-6-2-3-13(22)15-18-11-5-4-10(17)7-12(11)19-15/h4-5,7,13H,2-3,6,8H2,1H3,(H,18,19).

What are the key properties of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 361.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 118780655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).