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

C20H15N3O4 — CID 10570568

IUPAC2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione
SMILESCCc1[nH]c(=O)[nH]c1C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H15N3O4/c1-2-15-16(22-20(27)21-15)17(24)11-7-9-12(10-8-11)23-18(25)13-5-3-4-6-14(13)19(23)26/h3-10H,2H2,1H3,(H2,21,22,27)
InChIKeyCILPJFPOJNSDME-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.30
Rot. Bonds4

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

2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione (PubChem CID 10570568) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione
PubChem CID10570568
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione
SMILESCCc1[nH]c(=O)[nH]c1C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H15N3O4/c1-2-15-16(22-20(27)21-15)17(24)11-7-9-12(10-8-11)23-18(25)13-5-3-4-6-14(13)19(23)26/h3-10H,2H2,1H3,(H2,21,22,27)
InChIKeyCILPJFPOJNSDME-UHFFFAOYSA-N
XLogP2.30
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
[2-(4-ethylphenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1332079
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
(2R)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]butanoic acid
CID 92953781
2-(diethylamino)ethyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 168519961
4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168516849
2-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]isoindole-1,3-dione
CID 168517457
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 2254820
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione (CID 10570568) is 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione is CCc1[nH]c(=O)[nH]c1C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione?
The InChIKey is CILPJFPOJNSDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-2-15-16(22-20(27)21-15)17(24)11-7-9-12(10-8-11)23-18(25)13-5-3-4-6-14(13)19(23)26/h3-10H,2H2,1H3,(H2,21,22,27).
What are the key properties of 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione?
2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione has a molecular weight of 361.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 10570568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).