2LL

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole

Created:	2013-11-27
Last modified:	2013-12-18

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3 entries where 2LL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	66
Aromatic Bond Count	21

2D diagram of 2LL

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Chemical Component Summary
Name	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]ethyl]morpholine
Formula	C₂₆ H₃₀ N₄ O₂
Molecular Weight	430.542
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O1CCN(CC1)CCn2c5c(nc2CCc3ccccc3)cc(c4c(onc4C)C)cc5
SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc3n(CCN4CCOCC4)c(CCc5ccccc5)nc3c2
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5
Canonical SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc3n(CCN4CCOCC4)c(CCc5ccccc5)nc3c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5
InChI	InChI	1.03	InChI=1S/C26H30N4O2/c1-19-26(20(2)32-28-19)22-9-10-24-23(18-22)27-25(11-8-21-6-4-3-5-7-21)30(24)13-12-29-14-16-31-17-15-29/h3-7,9-10,18H,8,11-17H2,1-2H3
InChIKey	InChI	1.03	ZVYCZICBBIUVHC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3753333
PubChem	72201025
ChEMBL	CHEMBL3753333

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