2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione

C14H13N3O3 — CID 51669390

IUPAC2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1ccnc1
InChIInChI=1S/C14H13N3O3/c18-10(7-16-6-5-15-9-16)8-17-13(19)11-3-1-2-4-12(11)14(17)20/h1-6,9-10,18H,7-8H2/t10-/m0/s1
InChIKeyABUWJLFYAOBREB-JTQLQIEISA-N
MW271.28 g/mol
LogP0.54
Rot. Bonds4

About 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione

2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione (PubChem CID 51669390) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione
PubChem CID51669390
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1ccnc1
InChIInChI=1S/C14H13N3O3/c18-10(7-16-6-5-15-9-16)8-17-13(19)11-3-1-2-4-12(11)14(17)20/h1-6,9-10,18H,7-8H2/t10-/m0/s1
InChIKeyABUWJLFYAOBREB-JTQLQIEISA-N
XLogP0.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione (CID 51669390) is 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1ccnc1.
What is the InChIKey of 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione?
The InChIKey is ABUWJLFYAOBREB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13N3O3/c18-10(7-16-6-5-15-9-16)8-17-13(19)11-3-1-2-4-12(11)14(17)20/h1-6,9-10,18H,7-8H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione?
2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione has a molecular weight of 271.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 51669390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).