2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione

C34H34N4O4 — CID 59518877

IUPAC2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N1CC(CCN2C(=O)c3ccccc3C2=O)OC1=O
InChIInChI=1S/C34H34N4O4/c1-34(2,3)29(30-35-28(24-14-8-5-9-15-24)22-36(30)20-23-12-6-4-7-13-23)38-21-25(42-33(38)41)18-19-37-31(39)26-16-10-11-17-27(26)32(37)40/h4-17,22,25,29H,18-21H2,1-3H3/t25?,29-/m0/s1
InChIKeyMICPRSPMBBZYEP-QFCCLOIZSA-N
MW562.67 g/mol
LogP6.19
Rot. Bonds8

About 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione

2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 59518877) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione
PubChem CID59518877
Molecular FormulaC34H34N4O4
Molecular Weight562.67 g/mol
Exact Mass562.26
IUPAC Name2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N1CC(CCN2C(=O)c3ccccc3C2=O)OC1=O
InChIInChI=1S/C34H34N4O4/c1-34(2,3)29(30-35-28(24-14-8-5-9-15-24)22-36(30)20-23-12-6-4-7-13-23)38-21-25(42-33(38)41)18-19-37-31(39)26-16-10-11-17-27(26)32(37)40/h4-17,22,25,29H,18-21H2,1-3H3/t25?,29-/m0/s1
InChIKeyMICPRSPMBBZYEP-QFCCLOIZSA-N
XLogP6.19
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione (CID 59518877) is 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione is CC(C)(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N1CC(CCN2C(=O)c3ccccc3C2=O)OC1=O.
What is the InChIKey of 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is MICPRSPMBBZYEP-QFCCLOIZSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-34(2,3)29(30-35-28(24-14-8-5-9-15-24)22-36(30)20-23-12-6-4-7-13-23)38-21-25(42-33(38)41)18-19-37-31(39)26-16-10-11-17-27(26)32(37)40/h4-17,22,25,29H,18-21H2,1-3H3/t25?,29-/m0/s1.
What are the key properties of 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione?
2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 562.67 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 59518877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).