2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione

C19H15N3O3 — CID 802836

IUPAC2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCN=C1c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-16(21-11-10-20-17(21)13-6-2-1-3-7-13)12-22-18(24)14-8-4-5-9-15(14)19(22)25/h1-9H,10-12H2
InChIKeyQOONNFKFYMRPAT-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.57
Rot. Bonds3

About 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione

2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione (PubChem CID 802836) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione
PubChem CID802836
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCN=C1c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-16(21-11-10-20-17(21)13-6-2-1-3-7-13)12-22-18(24)14-8-4-5-9-15(14)19(22)25/h1-9H,10-12H2
InChIKeyQOONNFKFYMRPAT-UHFFFAOYSA-N
XLogP1.57
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
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-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione (CID 802836) is 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)N1CCN=C1c1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione?
The InChIKey is QOONNFKFYMRPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-16(21-11-10-20-17(21)13-6-2-1-3-7-13)12-22-18(24)14-8-4-5-9-15(14)19(22)25/h1-9H,10-12H2.
What are the key properties of 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione?
2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione has a molecular weight of 333.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-phenyl-4,5-dihydroimidazol-1-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 802836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).