2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione

C14H13N3O2 — CID 2993632

IUPAC2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1ccnc1
InChIInChI=1S/C14H13N3O2/c18-13-11-4-1-2-5-12(11)14(19)17(13)8-3-7-16-9-6-15-10-16/h1-2,4-6,9-10H,3,7-8H2
InChIKeyFJCSASYXAUMHJA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.57
Rot. Bonds4

About 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione

2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione (PubChem CID 2993632) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione
PubChem CID2993632
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1ccnc1
InChIInChI=1S/C14H13N3O2/c18-13-11-4-1-2-5-12(11)14(19)17(13)8-3-7-16-9-6-15-10-16/h1-2,4-6,9-10H,3,7-8H2
InChIKeyFJCSASYXAUMHJA-UHFFFAOYSA-N
XLogP1.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-imidazol-1-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione (CID 2993632) is 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCn1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione?
The InChIKey is FJCSASYXAUMHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-11-4-1-2-5-12(11)14(19)17(13)8-3-7-16-9-6-15-10-16/h1-2,4-6,9-10H,3,7-8H2.
What are the key properties of 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione?
2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione has a molecular weight of 255.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 2993632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).