2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide

C23H19N5O4 — CID 167821897

IUPAC2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3ccc(C(=O)Nc4ccccc4-c4ncc[nH]4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H19N5O4/c29-19-8-7-18(22(31)27-19)28-12-14-6-5-13(11-16(14)23(28)32)21(30)26-17-4-2-1-3-15(17)20-24-9-10-25-20/h1-6,9-11,18H,7-8,12H2,(H,24,25)(H,26,30)(H,27,29,31)
InChIKeyJEDOTVTXLOPQEI-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.09
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide (PubChem CID 167821897) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide
PubChem CID167821897
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3ccc(C(=O)Nc4ccccc4-c4ncc[nH]4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H19N5O4/c29-19-8-7-18(22(31)27-19)28-12-14-6-5-13(11-16(14)23(28)32)21(30)26-17-4-2-1-3-15(17)20-24-9-10-25-20/h1-6,9-11,18H,7-8,12H2,(H,24,25)(H,26,30)(H,27,29,31)
InChIKeyJEDOTVTXLOPQEI-UHFFFAOYSA-N
XLogP2.09
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide with MolForge

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Related Compounds

3-[3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]phenyl]propanoic acid
CID 166426036
1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 166426013
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-6-iodo-1-oxo-3H-isoindol-5-yl]benzamide
CID 170628981
2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid
CID 166426025
3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 166426009
N-[[4-(aminomethyl)phenyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 166426269
N-(2,3-dihydro-1H-indol-6-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride
CID 166425888
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
2-(2,6-dioxopiperidin-3-yl)-N-(4-ethylsulfonylbenzoyl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023258
3-[3-oxo-5-(2-phenylazepane-1-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166409616
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide (CID 167821897) is 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide is O=C1CCC(N2Cc3ccc(C(=O)Nc4ccccc4-c4ncc[nH]4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide?
The InChIKey is JEDOTVTXLOPQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c29-19-8-7-18(22(31)27-19)28-12-14-6-5-13(11-16(14)23(28)32)21(30)26-17-4-2-1-3-15(17)20-24-9-10-25-20/h1-6,9-11,18H,7-8,12H2,(H,24,25)(H,26,30)(H,27,29,31).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide is sourced from PubChem (CID 167821897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).