3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione

C23H18N4O4 — CID 177251329

IUPAC3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(C(=O)c4ncc(-c5ccccc5)[nH]4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H18N4O4/c28-19-9-8-18(22(30)26-19)27-12-15-10-14(6-7-16(15)23(27)31)20(29)21-24-11-17(25-21)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,12H2,(H,24,25)(H,26,28,30)
InChIKeyDZCFHDYPRVEXAW-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.07
Rot. Bonds4

About 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177251329) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177251329
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(C(=O)c4ncc(-c5ccccc5)[nH]4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H18N4O4/c28-19-9-8-18(22(30)26-19)27-12-15-10-14(6-7-16(15)23(27)31)20(29)21-24-11-17(25-21)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,12H2,(H,24,25)(H,26,28,30)
InChIKeyDZCFHDYPRVEXAW-UHFFFAOYSA-N
XLogP2.07
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(4-chlorobenzoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251278
3-[6-(2-methylpropanoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251287
3-[6-(2,5-dihydropyrrole-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146150009
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-3H-isoindole-5-carboxamide
CID 155338677
(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 166425969
3-[3-oxo-6-(5-phenyl-1,2-oxazol-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075864
ethyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]benzoate
CID 177251306
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231155
3-[6-[1-methyl-5-(2-phenylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075683
3-[6-(5-benzyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174263331
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 166425955

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177251329) is 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(C(=O)c4ncc(-c5ccccc5)[nH]4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DZCFHDYPRVEXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c28-19-9-8-18(22(30)26-19)27-12-15-10-14(6-7-16(15)23(27)31)20(29)21-24-11-17(25-21)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,12H2,(H,24,25)(H,26,28,30).
What are the key properties of 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 414.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-(5-phenyl-1H-imidazole-2-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177251329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).