XOL

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

Created:	2022-12-03
Last modified:	2023-05-31

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1 entries where XOL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	21

2D diagram of XOL

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Chemical Component Summary
Name	(2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	2-(2-piperazin-1-ylphenyl)-~{N}-(1,3-thiazol-2-yl)-1~{H}-benzimidazole-4-carboxamide
Formula	C₂₁ H₂₀ N₆ O S
Molecular Weight	404.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1nccs1)c1cccc2[NH]c(nc12)c1ccccc1N1CCNCC1
SMILES	CACTVS	3.385	O=C(Nc1sccn1)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2[nH]c3cccc(c3n2)C(=O)Nc4nccs4)N5CCNCC5
Canonical SMILES	CACTVS	3.385	O=C(Nc1sccn1)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2[nH]c3cccc(c3n2)C(=O)Nc4nccs4)N5CCNCC5
InChI	InChI	1.06	InChI=1S/C21H20N6OS/c28-20(26-21-23-10-13-29-21)15-5-3-6-16-18(15)25-19(24-16)14-4-1-2-7-17(14)27-11-8-22-9-12-27/h1-7,10,13,22H,8-9,11-12H2,(H,24,25)(H,23,26,28)
InChIKey	InChI	1.06	IXJIKFKXRZPAPB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168266219

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