1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide

C24H20N8O4 — CID 167895980

IUPAC1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide
SMILESCc1cccc2[nH]c(NC(=O)c3cn(-c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5)nn3)nc12
InChIInChI=1S/C24H20N8O4/c1-12-3-2-4-16-20(12)27-24(25-16)28-21(34)17-11-32(30-29-17)14-6-5-13-10-31(23(36)15(13)9-14)18-7-8-19(33)26-22(18)35/h2-6,9,11,18H,7-8,10H2,1H3,(H,26,33,35)(H2,25,27,28,34)
InChIKeyZRAKPPJGGDBCCO-UHFFFAOYSA-N
MW484.48 g/mol
LogP1.47
Rot. Bonds4

About 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide

1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide (PubChem CID 167895980) has the molecular formula C24H20N8O4 and a molecular weight of 484.48 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide
PubChem CID167895980
Molecular FormulaC24H20N8O4
Molecular Weight484.48 g/mol
Exact Mass484.16
IUPAC Name1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide
SMILESCc1cccc2[nH]c(NC(=O)c3cn(-c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5)nn3)nc12
InChIInChI=1S/C24H20N8O4/c1-12-3-2-4-16-20(12)27-24(25-16)28-21(34)17-11-32(30-29-17)14-6-5-13-10-31(23(36)15(13)9-14)18-7-8-19(33)26-22(18)35/h2-6,9,11,18H,7-8,10H2,1H3,(H,26,33,35)(H2,25,27,28,34)
InChIKeyZRAKPPJGGDBCCO-UHFFFAOYSA-N
XLogP1.47
TPSA154.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamoyl-4-methylphenyl)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]triazole-4-carboxamide
CID 167821903
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(3-ethyl-5-fluoro-2-methylphenyl)triazole-4-carboxamide
CID 167796084
N-(1-cyclobutyl-3-methylpyrazol-4-yl)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]triazole-4-carboxamide
CID 167912534
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]triazole-4-carboxamide
CID 167746602
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide
CID 167871865
1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-(1-methylindol-7-yl)triazole-4-carboxamide
CID 167928540
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[1-(4-hydroxyoxan-4-yl)ethyl]triazole-4-carboxamide
CID 167866102
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide
CID 167938886
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[2-(1,3-thiazol-2-yl)propan-2-yl]triazole-4-carboxamide
CID 167940979
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[(1-hydroxy-3-methylcyclohexyl)methyl]triazole-4-carboxamide
CID 167908649
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]triazole-4-carboxamide
CID 167924410
N-(2,3-dihydro-1H-indol-6-ylmethyl)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]triazole-4-carboxamide
CID 167990087

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide (CID 167895980) is 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide is Cc1cccc2[nH]c(NC(=O)c3cn(-c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5)nn3)nc12.
What is the InChIKey of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide?
The InChIKey is ZRAKPPJGGDBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O4/c1-12-3-2-4-16-20(12)27-24(25-16)28-21(34)17-11-32(30-29-17)14-6-5-13-10-31(23(36)15(13)9-14)18-7-8-19(33)26-22(18)35/h2-6,9,11,18H,7-8,10H2,1H3,(H,26,33,35)(H2,25,27,28,34).
What are the key properties of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide?
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 167895980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).