A1BHP

(2M)-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(piperazin-1-yl)phenyl]-1H-1,3-benzimidazole-4-carboxamide

Created:	2024-11-20
Last modified:	2025-11-26

Find Related PDB Entry
1 entries where A1BHP is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	21

2D diagram of A1BHP

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2M)-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(piperazin-1-yl)phenyl]-1H-1,3-benzimidazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(4-methyl-1,3-thiazol-2-yl)-2-(2-piperazin-1-ylphenyl)-1~{H}-benzimidazole-4-carboxamide
Formula	C₂₂ H₂₂ N₆ O S
Molecular Weight	418.515
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1csc(NC(=O)c2cccc3[NH]c(nc32)c2ccccc2N2CCNCC2)n1
SMILES	CACTVS	3.385	Cc1csc(NC(=O)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5)n1
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1csc(n1)NC(=O)c2cccc3c2nc([nH]3)c4ccccc4N5CCNCC5
Canonical SMILES	CACTVS	3.385	Cc1csc(NC(=O)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5)n1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1csc(n1)NC(=O)c2cccc3c2nc([nH]3)c4ccccc4N5CCNCC5
InChI	InChI	1.06	InChI=1S/C22H22N6OS/c1-14-13-30-22(24-14)27-21(29)16-6-4-7-17-19(16)26-20(25-17)15-5-2-3-8-18(15)28-11-9-23-10-12-28/h2-8,13,23H,9-12H2,1H3,(H,25,26)(H,24,27,29)
InChIKey	InChI	1.06	XFFHSVKASCGESU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	177692610

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.