YH0

2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide

Created:	2023-02-02
Last modified:	2024-02-07

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2 entries where YH0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	26

2D diagram of YH0

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Chemical Component Summary
Name	2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide
Systematic Name (OpenEye OEToolkits)	2-[4-[2-(1~{H}-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-3~{H}-benzimidazole-4-carboxamide
Formula	C₂₄ H₂₀ N₆ O₂
Molecular Weight	424.455
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)c1cccc2nc([NH]c12)c1ccc(cc1)C(=O)NCCc1nc2ccccc2[NH]1
SMILES	CACTVS	3.385	NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3)C(=O)NCCc4[nH]c5ccccc5n4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3)C(=O)NCCc4[nH]c5ccccc5n4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N
InChI	InChI	1.06	InChI=1S/C24H20N6O2/c25-22(31)16-4-3-7-19-21(16)30-23(29-19)14-8-10-15(11-9-14)24(32)26-13-12-20-27-17-5-1-2-6-18(17)28-20/h1-11H,12-13H2,(H2,25,31)(H,26,32)(H,27,28)(H,29,30)
InChIKey	InChI	1.06	HKMBTWRJKUMZJX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	170456617

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.