Y0B

2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol

Created:	2023-06-09
Last modified:	2024-05-01

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1 entries where Y0B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	16

2D diagram of Y0B

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Chemical Component Summary
Name	2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
Systematic Name (OpenEye OEToolkits)	2-methoxy-6-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenol
Formula	C₁₈ H₂₁ N₃ O₂
Molecular Weight	311.378
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cccc(CNc2nc3ccccc3n2CCC)c1O
SMILES	CACTVS	3.385	CCCn1c(NCc2cccc(OC)c2O)nc3ccccc13
SMILES	OpenEye OEToolkits	2.0.7	CCCn1c2ccccc2nc1NCc3cccc(c3O)OC
Canonical SMILES	CACTVS	3.385	CCCn1c(NCc2cccc(OC)c2O)nc3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCn1c2ccccc2nc1NCc3cccc(c3O)OC
InChI	InChI	1.06	InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20)
InChIKey	InChI	1.06	PIPSFOMKWXEBPD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	787430
ChEMBL	CHEMBL1467277

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.