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

C24H27N7O2 — CID 11597470

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

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one (PubChem CID 11597470) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
• PubChem CID: 11597470
• Molecular Formula: C24H27N7O2
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.22
• IUPAC Name: 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
• SMILES: Cc1nnc(-c2ccc(-n3ccn(CCc4cccnc4N4CCN(C)CC4)c3=O)cc2)o1
• InChI: InChI=1S/C24H27N7O2/c1-18-26-27-23(33-18)20-5-7-21(8-6-20)31-17-16-30(24(31)32)11-9-19-4-3-10-25-22(19)29-14-12-28(2)13-15-29/h3-8,10,16-17H,9,11-15H2,1-2H3
• InChIKey: GTVZGPCUPCQGBB-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 85.22 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one (CID 11597470) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one.

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

The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one is Cc1nnc(-c2ccc(-n3ccn(CCc4cccnc4N4CCN(C)CC4)c3=O)cc2)o1.

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

The InChIKey is GTVZGPCUPCQGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-18-26-27-23(33-18)20-5-7-21(8-6-20)31-17-16-30(24(31)32)11-9-19-4-3-10-25-22(19)29-14-12-28(2)13-15-29/h3-8,10,16-17H,9,11-15H2,1-2H3.

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

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one has a molecular weight of 445.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one is sourced from PubChem (CID 11597470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).