RF4

(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid

Created:	2015-03-06
Last modified:	2015-10-21

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1 entries where RF4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	16

2D diagram of RF4

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Chemical Component Summary
Name	(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid
Systematic Name (OpenEye OEToolkits)	2-[2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoic acid
Formula	C₁₉ H₂₀ N₂ O₃ S
Molecular Weight	356.439
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c(c(ccc1)C)OCCSc2nc3c(n2CC(O)=O)cccc3)C
SMILES	CACTVS	3.385	Cc1cccc(C)c1OCCSc2nc3ccccc3n2CC(O)=O
SMILES	OpenEye OEToolkits	1.9.2	Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C
Canonical SMILES	CACTVS	3.385	Cc1cccc(C)c1OCCSc2nc3ccccc3n2CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C
InChI	InChI	1.03	InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23)
InChIKey	InChI	1.03	ZAHFRMHMWCBLOL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2849295, 1718009
ChEMBL	CHEMBL1439113

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