17W

2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole

Created:	2012-10-29
Last modified:	2013-01-18

Find Related PDB Entry
1 entries where 17W 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	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	16

2D diagram of 17W

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	2-(2-phenoxyethylsulfanyl)-1H-benzimidazole
Formula	C₁₅ H₁₄ N₂ O S
Molecular Weight	270.349
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1ccccc1nc2SCCOc3ccccc3
SMILES	CACTVS	3.370	C(CSc1[nH]c2ccccc2n1)Oc3ccccc3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)OCCSc2[nH]c3ccccc3n2
Canonical SMILES	CACTVS	3.370	C(CSc1[nH]c2ccccc2n1)Oc3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)OCCSc2[nH]c3ccccc3n2
InChI	InChI	1.03	InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
InChIKey	InChI	1.03	UEYUFQWEHMSHIX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1944110
ChEMBL	CHEMBL1563710

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.