ISDA: 6H5R

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: FTQ

IUPAC Name: bis(1-butyl-3-methyl-imidazol-2-yl)gold

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: C1=CN[C-2](->[Au]<-[C-2]2NC=CN2)N1

InChI: InChI=1S/2C3H4N2.Au/c2*1-2-5-3-4-1;/h2*1-2,4-5H;/q2*-2;

InChI Key: NEIQVUBRCDDKRC-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C16 H28 Au N4

Molecular weight: 473.387

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 0

Rotatable Bonds: 10

Heavy Atoms: 21

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	bis[(2R)-1-butyl-3-methyl-2,3-dihydro-1H-imidazol-2-yl]gold
OpenEye OEToolkits	3.1.0.0	bis(1-butyl-3-methyl-imidazol-2-yl)gold

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CCCCN1C=CN(C)C1[Au]C1N(C)C=CN1CCCC
InChI	InChI	1.06	InChI=1S/2C8H15N2.Au/c21-3-4-5-10-7-6-9(2)8-10;/h26-8H,3-5H2,1-2H3;
InChIKey	InChI	1.06	FFSJHSCTXAIXRK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[Au].CCCCN1CN(C)C=C1.CCCCN2CN(C)C=C2
SMILES	CACTVS	3.385	[Au].CCCCN1CN(C)C=C1.CCCCN2CN(C)C=C2
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CCCCN1C=CN([C]1[Au][C]2N(C=CN2CCCC)C)C
SMILES	OpenEye OEToolkits	3.1.0.0	CCCCN1C=CN([C]1[Au][C]2N(C=CN2CCCC)C)C