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

C20H17N3O3 — CID 3732697

IUPAC2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCN=C1c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H17N3O3/c1-13(23-19(25)15-9-5-6-10-16(15)20(23)26)18(24)22-12-11-21-17(22)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyDURJMFSMLUQQQX-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.96
Rot. Bonds3

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

2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione (PubChem CID 3732697) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione
PubChem CID3732697
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCN=C1c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H17N3O3/c1-13(23-19(25)15-9-5-6-10-16(15)20(23)26)18(24)22-12-11-21-17(22)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyDURJMFSMLUQQQX-UHFFFAOYSA-N
XLogP1.96
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione with MolForge

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Related Compounds

alpha-Phthalimidopropiophenone
CID 519663
1H-Isoindole-1,3(2H)-dione, 2-[(3,4-dihydro-1-isoquinolinyl)methyl]-
CID 625903
2-(1-phenylpropan-2-yl)-1H-isoindole-1,3(2H)-dione
CID 2912769
2-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]-1H-isoindole-1,3(2H)-dione
CID 3134071
2-[1-oxo-1-(piperidin-1-yl)propan-2-yl]-1H-isoindole-1,3(2H)-dione
CID 660902
3-isopropyl-3-methyl-3H-imidazo[2,1-a]isoindole-2,5-dione
CID 2729247
N-(2-cyclohex-1-en-1-ylethyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 3239503
2-(2-(4-Phenyl-5,6-dihydropyridin-1(2H)-yl)ethyl)isoindoline-1,3-dione
CID 8554729
2-[4-[Benzyl(methyl)amino]butyl]isoindole-1,3-dione
CID 14985618
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methyl-1-phenylpropyl)propanamide
CID 3750987
3,4-Dihydropyrimido(2,1-A)isoindol-6(2H)-one
CID 2803168

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione (CID 3732697) is 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione is CC(C(=O)N1CCN=C1c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione?
The InChIKey is DURJMFSMLUQQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(23-19(25)15-9-5-6-10-16(15)20(23)26)18(24)22-12-11-21-17(22)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione?
2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione has a molecular weight of 347.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-(2-phenyl-4,5-dihydroimidazol-1-yl)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 3732697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).