L6D

N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide

Created:	2023-08-15
Last modified:	2023-11-08

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2 entries where L6D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	16

2D diagram of L6D

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Chemical Component Summary
Name	N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-(benzimidazol-1-yl)-2-(3-chlorophenyl)ethanamide
Formula	C₁₅ H₁₂ Cl N₃ O
Molecular Weight	285.728
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1)CC(=O)Nn1cnc2ccccc21
SMILES	CACTVS	3.385	Clc1cccc(CC(=O)Nn2cnc3ccccc23)c1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)ncn2NC(=O)Cc3cccc(c3)Cl
Canonical SMILES	CACTVS	3.385	Clc1cccc(CC(=O)Nn2cnc3ccccc23)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)ncn2NC(=O)Cc3cccc(c3)Cl
InChI	InChI	1.06	InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-19-10-17-13-6-1-2-7-14(13)19/h1-8,10H,9H2,(H,18,20)
InChIKey	InChI	1.06	YHLCUCKEOZVUDL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154858286

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.