6UI

4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine

Created:	2014-07-07
Last modified:	2015-07-22

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1 entries where 6UI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	22

2D diagram of 6UI

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Chemical Component Summary
Name	4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine
Systematic Name (OpenEye OEToolkits)	4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine
Formula	C₁₉ H₁₅ N₃ O
Molecular Weight	301.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c(c1ccc2c(c1)ccc(OC)c2)c(c3ccncc3)nc4
SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)c3nc[nH]c3c4ccncc4
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4
Canonical SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)c3nc[nH]c3c4ccncc4
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4
InChI	InChI	1.03	InChI=1S/C19H15N3O/c1-23-17-5-4-14-10-16(3-2-15(14)11-17)19-18(21-12-22-19)13-6-8-20-9-7-13/h2-12H,1H3,(H,21,22)
InChIKey	InChI	1.03	DXOWEAIMGARAMG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	57341683
ChEMBL	CHEMBL2030506

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