A1A0J

(3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione

Created:	2024-07-30
Last modified:	2024-08-28

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1 entries where A1A0J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	6

2D diagram of A1A0J

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Chemical Component Summary
Name	(3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione
Systematic Name (OpenEye OEToolkits)	(3~{S})-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-2,6-dione
Formula	C₁₃ H₁₃ N₃ O₃
Molecular Weight	259.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=O)CCC1N1c2ccccc2N(C)C1=O
SMILES	CACTVS	3.385	CN1C(=O)N([CH]2CCC(=O)NC2=O)c3ccccc13
SMILES	OpenEye OEToolkits	2.0.7	CN1c2ccccc2N(C1=O)C3CCC(=O)NC3=O
Canonical SMILES	CACTVS	3.385	CN1C(=O)N([C@H]2CCC(=O)NC2=O)c3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1c2ccccc2N(C1=O)[C@H]3CCC(=O)NC3=O
InChI	InChI	1.06	InChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18)/t10-/m0/s1
InChIKey	InChI	1.06	VFDZUWPTOYTMAL-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	166733310

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.