483

2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide

Created:	2015-02-11
Last modified:	2016-03-02

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4 entries where 483 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	5

2D diagram of 483

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Chemical Component Summary
Name	2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide
Systematic Name (OpenEye OEToolkits)	2-imidazol-1-yl-N-(4-methylcyclohexyl)ethanamide
Formula	C₁₂ H₁₉ N₃ O
Molecular Weight	221.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1CCC(C)CC1)Cn2ccnc2
SMILES	CACTVS	3.385	C[CH]1CC[CH](CC1)NC(=O)Cn2ccnc2
SMILES	OpenEye OEToolkits	1.9.2	CC1CCC(CC1)NC(=O)Cn2ccnc2
Canonical SMILES	CACTVS	3.385	C[C@@H]1CC[C@H](CC1)NC(=O)Cn2ccnc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC1CCC(CC1)NC(=O)Cn2ccnc2
InChI	InChI	1.03	InChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16)/t10-,11-
InChIKey	InChI	1.03	PKHDTDLLHJFDKS-XYPYZODXSA-N

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.