1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one

C17H22N6O2 — CID 120956966

About 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one

1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one (PubChem CID 120956966) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one
• PubChem CID: 120956966
• Molecular Formula: C17H22N6O2
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.18
• IUPAC Name: 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one
• SMILES: Cc1c(-c2nc(C3CNCCN3C)no2)cccc1N1CCNC1=O
• InChI: InChI=1S/C17H22N6O2/c1-11-12(4-3-5-13(11)23-9-7-19-17(23)24)16-20-15(21-25-16)14-10-18-6-8-22(14)2/h3-5,14,18H,6-10H2,1-2H3,(H,19,24)
• InChIKey: NLJGJHNGLHMGOH-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 86.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one?

The IUPAC name of 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one (CID 120956966) is 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one?

The canonical SMILES for 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one is Cc1c(-c2nc(C3CNCCN3C)no2)cccc1N1CCNC1=O.

What is the InChIKey of 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one?

The InChIKey is NLJGJHNGLHMGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-12(4-3-5-13(11)23-9-7-19-17(23)24)16-20-15(21-25-16)14-10-18-6-8-22(14)2/h3-5,14,18H,6-10H2,1-2H3,(H,19,24).

What are the key properties of 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one?

1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 120956966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).