A1JPK

ethyl 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-phenyl-benzimidazole-5-carboxylate

Created:	2025-09-17
Last modified:	2026-02-18

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1 entries where A1JPK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	16

2D diagram of A1JPK

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Chemical Component Summary
Name	ethyl 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-phenyl-benzimidazole-5-carboxylate
Systematic Name (OpenEye OEToolkits)	ethyl 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-phenyl-benzimidazole-5-carboxylate
Formula	C₂₃ H₂₅ N₃ O₃
Molecular Weight	391.463
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1ccc2c(c1)nc(n2CCCN3CCCC3=O)c4ccccc4
Canonical SMILES	CACTVS	3.385	CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1ccc2c(c1)nc(n2CCCN3CCCC3=O)c4ccccc4
InChI	InChI	1.06	InChI=1S/C23H25N3O3/c1-2-29-23(28)18-11-12-20-19(16-18)24-22(17-8-4-3-5-9-17)26(20)15-7-14-25-13-6-10-21(25)27/h3-5,8-9,11-12,16H,2,6-7,10,13-15H2,1H3
InChIKey	InChI	1.06	WJYNZMYLZGFWGH-UHFFFAOYSA-N

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.