3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C19H17N5O2S — CID 71792993

About 3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 71792993) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 71792993
• Molecular Formula: C19H17N5O2S
• Molecular Weight: 379.45 g/mol
• Exact Mass: 379.11
• IUPAC Name: 3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2nc[nH]c2c1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
• InChI: InChI=1S/C19H17N5O2S/c25-19(13-1-2-15-16(9-13)21-11-20-15)24-6-3-12(4-7-24)17-22-23-18(26-17)14-5-8-27-10-14/h1-2,5,8-12H,3-4,6-7H2,(H,20,21)
• InChIKey: ABPBDLQCOXLBPS-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.45
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 71792993) is 3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for 3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC(c2nnc(-c3ccsc3)o2)CC1.

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

The InChIKey is ABPBDLQCOXLBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c25-19(13-1-2-15-16(9-13)21-11-20-15)24-6-3-12(4-7-24)17-22-23-18(26-17)14-5-8-27-10-14/h1-2,5,8-12H,3-4,6-7H2,(H,20,21).

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

3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 379.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71792993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).