1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one

C25H31N3O6 — CID 122453957

About 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one

1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one (PubChem CID 122453957) has the molecular formula C25H31N3O6 and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one
• PubChem CID: 122453957
• Molecular Formula: C25H31N3O6
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.22
• IUPAC Name: 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one
• SMILES: CC1=C(N2CCN(C3CCN([C@H](C)[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O
• InChI: InChI=1S/C25H31N3O6/c1-14-18(4-5-19-20(14)12-33-24(19)31)22(29)16(3)26-8-6-17(7-9-26)27-10-11-28(25(27)32)21-13-34-23(30)15(21)2/h4-5,16-17,22,29H,6-13H2,1-3H3/t16-,22+/m1/s1
• InChIKey: MZRJMEZXNRSVII-ZHRRBRCNSA-N
• XLogP: 2.12
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one?

The IUPAC name of 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one (CID 122453957) is 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one.

What is the SMILES notation for 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one?

The canonical SMILES for 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one is CC1=C(N2CCN(C3CCN([C@H](C)[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O.

What is the InChIKey of 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one?

The InChIKey is MZRJMEZXNRSVII-ZHRRBRCNSA-N. The full InChI is InChI=1S/C25H31N3O6/c1-14-18(4-5-19-20(14)12-33-24(19)31)22(29)16(3)26-8-6-17(7-9-26)27-10-11-28(25(27)32)21-13-34-23(30)15(21)2/h4-5,16-17,22,29H,6-13H2,1-3H3/t16-,22+/m1/s1.

What are the key properties of 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one?

1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one has a molecular weight of 469.54 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(1R,2R)-1-hydroxy-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]piperidin-4-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one is sourced from PubChem (CID 122453957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).