3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione

C25H20N4O3 — CID 43841356

IUPAC3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCn3c2nc2ccccc23)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H20N4O3/c30-23-16-22(28-15-14-27-21-9-5-4-8-20(21)26-25(27)28)24(31)29(23)17-10-12-19(13-11-17)32-18-6-2-1-3-7-18/h1-13,22H,14-16H2
InChIKeyUQPUOFGQTQVQAS-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.98
Rot. Bonds4

About 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione

3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 43841356) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
PubChem CID43841356
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCn3c2nc2ccccc23)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H20N4O3/c30-23-16-22(28-15-14-27-21-9-5-4-8-20(21)26-25(27)28)24(31)29(23)17-10-12-19(13-11-17)32-18-6-2-1-3-7-18/h1-13,22H,14-16H2
InChIKeyUQPUOFGQTQVQAS-UHFFFAOYSA-N
XLogP3.98
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.98
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 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione (CID 43841356) is 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione is O=C1CC(N2CCn3c2nc2ccccc23)C(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is UQPUOFGQTQVQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-23-16-22(28-15-14-27-21-9-5-4-8-20(21)26-25(27)28)24(31)29(23)17-10-12-19(13-11-17)32-18-6-2-1-3-7-18/h1-13,22H,14-16H2.
What are the key properties of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione?
3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 424.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43841356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).