2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione

C19H15N3O2 — CID 10087188

IUPAC2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H15N3O2/c23-18-15-8-4-5-9-16(15)19(24)22(18)11-10-14-12-20-17(21-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21)
InChIKeyASWGCNYBLPZQEI-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione

2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 10087188) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione
PubChem CID10087188
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H15N3O2/c23-18-15-8-4-5-9-16(15)19(24)22(18)11-10-14-12-20-17(21-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21)
InChIKeyASWGCNYBLPZQEI-UHFFFAOYSA-N
XLogP2.92
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Luxeptinib
CID 118480924
3-(1H-imidazol-5-ylmethylene)-1,3-dihydro-2H-indol-2-one
CID 5714572
3-[(Z)-(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714570
(3Z)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714571
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
1-(3-fluoro-4-(7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydro-1H-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
CID 66981446
3-[(Z)-(2-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one
CID 5714575
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide
CID 675103
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]benzamide
CID 134369552
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione (CID 10087188) is 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is ASWGCNYBLPZQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-18-15-8-4-5-9-16(15)19(24)22(18)11-10-14-12-20-17(21-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione?
2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 317.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 10087188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).