3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione

C21H19N3O2 — CID 139337813

IUPAC3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c(Cc3ccccc3)ncn2Cc2ccccc2)C(=O)N1
InChIInChI=1S/C21H19N3O2/c25-19-12-17(21(26)23-19)20-18(11-15-7-3-1-4-8-15)22-14-24(20)13-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2,(H,23,25,26)
InChIKeyDIRFLCOAGOEVPS-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.65
Rot. Bonds5

About 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione

3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione (PubChem CID 139337813) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione
PubChem CID139337813
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c(Cc3ccccc3)ncn2Cc2ccccc2)C(=O)N1
InChIInChI=1S/C21H19N3O2/c25-19-12-17(21(26)23-19)20-18(11-15-7-3-1-4-8-15)22-14-24(20)13-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2,(H,23,25,26)
InChIKeyDIRFLCOAGOEVPS-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione (CID 139337813) is 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione is O=C1CC(c2c(Cc3ccccc3)ncn2Cc2ccccc2)C(=O)N1.
What is the InChIKey of 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione?
The InChIKey is DIRFLCOAGOEVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-19-12-17(21(26)23-19)20-18(11-15-7-3-1-4-8-15)22-14-24(20)13-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2,(H,23,25,26).
What are the key properties of 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione?
3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione has a molecular weight of 345.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 139337813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).