1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C52H58BBr2F2N11O11 — CID 158645266

About 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 158645266) has the molecular formula C52H58BBr2F2N11O11 and a molecular weight of 1221.72 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 158645266
• Molecular Formula: C52H58BBr2F2N11O11
• Molecular Weight: 1221.72 g/mol
• Exact Mass: 1219.27
• IUPAC Name: 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: CC1(C)OB(c2ccc(N3C[C@H](CO)OC3=O)cc2F)OC1(C)C.CN1CCN(c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)C1=O.CN1CCN(c2ccc(Br)cn2)C1=O.O=C1NCCN1c1ccc(Br)cn1
• InChI: InChI=1S/C19H19FN4O4.C16H21BFNO5.C9H10BrN3O.C8H8BrN3O/c1-22-6-7-23(18(22)26)17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)24-10-14(11-25)28-19(24)27;1-15(2)16(3,4)24-17(23-15)12-6-5-10(7-13(12)18)19-8-11(9-20)22-14(19)21;1-12-4-5-13(9(12)14)8-3-2-7(10)6-11-8;9-6-1-2-7(11-5-6)12-4-3-10-8(12)13/h2-5,8-9,14,25H,6-7,10-11H2,1H3;5-7,11,20H,8-9H2,1-4H3;2-3,6H,4-5H2,1H3;1-2,5H,3-4H2,(H,10,13)/t14-;11-;;/m11../s1
• InChIKey: IAWQLSIPCJWTKV-AETSRAJNSA-N
• XLogP: 6.61
• TPSA: 236.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1221.72
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 158645266) is 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CC1(C)OB(c2ccc(N3C[C@H](CO)OC3=O)cc2F)OC1(C)C.CN1CCN(c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)C1=O.CN1CCN(c2ccc(Br)cn2)C1=O.O=C1NCCN1c1ccc(Br)cn1.

What is the InChIKey of 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is IAWQLSIPCJWTKV-AETSRAJNSA-N. The full InChI is InChI=1S/C19H19FN4O4.C16H21BFNO5.C9H10BrN3O.C8H8BrN3O/c1-22-6-7-23(18(22)26)17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)24-10-14(11-25)28-19(24)27;1-15(2)16(3,4)24-17(23-15)12-6-5-10(7-13(12)18)19-8-11(9-20)22-14(19)21;1-12-4-5-13(9(12)14)8-3-2-7(10)6-11-8;9-6-1-2-7(11-5-6)12-4-3-10-8(12)13/h2-5,8-9,14,25H,6-7,10-11H2,1H3;5-7,11,20H,8-9H2,1-4H3;2-3,6H,4-5H2,1H3;1-2,5H,3-4H2,(H,10,13)/t14-;11-;;/m11../s1.

What are the key properties of 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 1221.72 g/mol, XLogP of 6.61, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 158645266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).