2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

C32H29ClN4O4 — CID 58093301

About 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione (PubChem CID 58093301) has the molecular formula C32H29ClN4O4 and a molecular weight of 569.06 g/mol. Its IUPAC name is 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
• PubChem CID: 58093301
• Molecular Formula: C32H29ClN4O4
• Molecular Weight: 569.06 g/mol
• Exact Mass: 568.19
• IUPAC Name: 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
• SMILES: CC(C)[C@H](c1nc(-c2cccc(Cl)c2)cn1Cc1ccccc1)N1CC(CN2C(=O)c3ccccc3C2=O)OC1=O
• InChI: InChI=1S/C32H29ClN4O4/c1-20(2)28(36-17-24(41-32(36)40)18-37-30(38)25-13-6-7-14-26(25)31(37)39)29-34-27(22-11-8-12-23(33)15-22)19-35(29)16-21-9-4-3-5-10-21/h3-15,19-20,24,28H,16-18H2,1-2H3/t24?,28-/m1/s1
• InChIKey: GYRINUGGHUWIQC-ITCMONMYSA-N
• XLogP: 6.07
• TPSA: 84.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.06
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?

The IUPAC name of 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione (CID 58093301) is 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?

The canonical SMILES for 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione is CC(C)[C@H](c1nc(-c2cccc(Cl)c2)cn1Cc1ccccc1)N1CC(CN2C(=O)c3ccccc3C2=O)OC1=O.

What is the InChIKey of 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?

The InChIKey is GYRINUGGHUWIQC-ITCMONMYSA-N. The full InChI is InChI=1S/C32H29ClN4O4/c1-20(2)28(36-17-24(41-32(36)40)18-37-30(38)25-13-6-7-14-26(25)31(37)39)29-34-27(22-11-8-12-23(33)15-22)19-35(29)16-21-9-4-3-5-10-21/h3-15,19-20,24,28H,16-18H2,1-2H3/t24?,28-/m1/s1.

What are the key properties of 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?

2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 569.06 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 58093301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).