OJG

N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide

Created:	2019-06-26
Last modified:	2019-12-11

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1 entries where OJG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	11

2D diagram of OJG

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Chemical Component Summary
Name	N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]-2-phenyl-ethanamide
Formula	C₁₆ H₂₁ N₃ O₂
Molecular Weight	287.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2
SMILES	CACTVS	3.385	OCc1[nH]c(CCCCNC(=O)Cc2ccccc2)nc1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO
Canonical SMILES	CACTVS	3.385	OCc1[nH]c(CCCCNC(=O)Cc2ccccc2)nc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO
InChI	InChI	1.03	InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19)
InChIKey	InChI	1.03	NWJHGXOXPDGAJH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145704659

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