ISDA: 6BO1

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: E3D

IUPAC Name: dichlorido(1,3-dimethyl-2,3-dihydro-1H-1,3-benzimidazol-2-yl)ruthenium

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [C-2]1Nc2ccccc2N1

InChI: InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-4,8-9H/q-2

InChI Key: UTNDSNMLYLMTFA-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C9 H10 Cl2 N2 Ru

Molecular weight: 318.165

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 0

Rotatable Bonds: 2

Heavy Atoms: 14

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	dichlorido(1,3-dimethyl-2,3-dihydro-1H-1,3-benzimidazol-2-yl)ruthenium
OpenEye OEToolkits	3.1.0.0	bis(chloranyl)-(1,3-dimethylbenzimidazol-2-yl)ruthenium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cl[Ru](Cl)C1N(C)c2ccccc2N1C
InChI	InChI	1.06	InChI=1S/C9H11N2.2ClH.Ru/c1-10-7-11(2)9-6-4-3-5-8(9)10;;;/h3-7H,1-2H3;2*1H;/q;;;+2/p-2
InChIKey	InChI	1.06	SKTHWQIECBPCKI-UHFFFAOYSA-L
SMILES_CANONICAL	CACTVS	3.385	CN1CN(C)c2ccccc12.Cl[Ru]Cl
SMILES	CACTVS	3.385	CN1CN(C)c2ccccc12.Cl[Ru]Cl
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CN1c2ccccc2N([C]1[Ru](Cl)Cl)C
SMILES	OpenEye OEToolkits	3.1.0.0	CN1c2ccccc2N([C]1[Ru](Cl)Cl)C