1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one

C24H32N6O2 — CID 11546600

About 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one

1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one (PubChem CID 11546600) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
• PubChem CID: 11546600
• Molecular Formula: C24H32N6O2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.26
• IUPAC Name: 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
• SMILES: COC(C)(C)c1ccc(-n2ccn(CCc3cccnc3N3CCN(C)CC3)c2=O)cn1
• InChI: InChI=1S/C24H32N6O2/c1-24(2,32-4)21-8-7-20(18-26-21)30-17-16-29(23(30)31)11-9-19-6-5-10-25-22(19)28-14-12-27(3)13-15-28/h5-8,10,16-18H,9,11-15H2,1-4H3
• InChIKey: ZTJISEYIWZQRAE-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 68.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one?

The IUPAC name of 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one (CID 11546600) is 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one.

What is the SMILES notation for 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one?

The canonical SMILES for 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one is COC(C)(C)c1ccc(-n2ccn(CCc3cccnc3N3CCN(C)CC3)c2=O)cn1.

What is the InChIKey of 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one?

The InChIKey is ZTJISEYIWZQRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-24(2,32-4)21-8-7-20(18-26-21)30-17-16-29(23(30)31)11-9-19-6-5-10-25-22(19)28-14-12-27(3)13-15-28/h5-8,10,16-18H,9,11-15H2,1-4H3.

What are the key properties of 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one?

1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one has a molecular weight of 436.56 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one is sourced from PubChem (CID 11546600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).