3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one

C23H24N6O2 — CID 91918654

About 3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one

3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 91918654) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one
• PubChem CID: 91918654
• Molecular Formula: C23H24N6O2
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.20
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one
• SMILES: O=C(CCc1nc2ccccc2[nH]1)N1CCCC(Cc2noc(-c3ccccn3)n2)C1
• InChI: InChI=1S/C23H24N6O2/c30-22(11-10-20-25-17-7-1-2-8-18(17)26-20)29-13-5-6-16(15-29)14-21-27-23(31-28-21)19-9-3-4-12-24-19/h1-4,7-9,12,16H,5-6,10-11,13-15H2,(H,25,26)
• InChIKey: ZZVAHHFBLXDIBO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one (CID 91918654) is 3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one.

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

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one is O=C(CCc1nc2ccccc2[nH]1)N1CCCC(Cc2noc(-c3ccccn3)n2)C1.

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

The InChIKey is ZZVAHHFBLXDIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-22(11-10-20-25-17-7-1-2-8-18(17)26-20)29-13-5-6-16(15-29)14-21-27-23(31-28-21)19-9-3-4-12-24-19/h1-4,7-9,12,16H,5-6,10-11,13-15H2,(H,25,26).

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

3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 416.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91918654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).