1C6

6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole

Created:	2013-04-29
Last modified:	2020-05-26

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5 entries where 1C6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	16

2D diagram of 1C6

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Chemical Component Summary
Name	6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole
Synonyms	omeprazole; prilosec
Systematic Name (OpenEye OEToolkits)	6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole
Formula	C₁₇ H₁₉ N₃ O₂ S
Molecular Weight	329.417
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1ccc(OC)cc1nc2SCc3ncc(c(OC)c3C)C
SMILES	CACTVS	3.370	COc1ccc2nc([nH]c2c1)SCc3ncc(C)c(OC)c3C
SMILES	OpenEye OEToolkits	1.7.6	Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC
Canonical SMILES	CACTVS	3.370	COc1ccc2nc([nH]c2c1)SCc3ncc(C)c(OC)c3C
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC
InChI	InChI	1.03	InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKey	InChI	1.03	XURCIPRUUASYLR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155794
ChEMBL	CHEMBL892

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