bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride

C9H13Cl4N6Ru — CID 15772348

IUPACbis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride
SMILESC1=C[NH2+]C=N1.Cl[Ru](Cl)Cl.[Cl-].c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/3C3H4N2.4ClH.Ru/c3*1-2-5-3-4-1;;;;;/h3*1-3H,(H,4,5);4*1H;/q;;;;;;;+3/p-3
InChIKeyJKTOVIMYTRPFKQ-UHFFFAOYSA-K
MW448.13 g/mol
LogP-1.05
Rot. Bonds

About bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride

bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride (PubChem CID 15772348) has the molecular formula C9H13Cl4N6Ru and a molecular weight of 448.13 g/mol. Its IUPAC name is bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride.

Molecular Properties

Compound Namebis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride
PubChem CID15772348
Molecular FormulaC9H13Cl4N6Ru
Molecular Weight448.13 g/mol
Exact Mass446.90
IUPAC Namebis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride
SMILESC1=C[NH2+]C=N1.Cl[Ru](Cl)Cl.[Cl-].c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/3C3H4N2.4ClH.Ru/c3*1-2-5-3-4-1;;;;;/h3*1-3H,(H,4,5);4*1H;/q;;;;;;;+3/p-3
InChIKeyJKTOVIMYTRPFKQ-UHFFFAOYSA-K
XLogP-1.05
TPSA86.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.13
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride?
The IUPAC name of bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride (CID 15772348) is bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride.
What is the SMILES notation for bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride?
The canonical SMILES for bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride is C1=C[NH2+]C=N1.Cl[Ru](Cl)Cl.[Cl-].c1c[nH]cn1.c1c[nH]cn1.
What is the InChIKey of bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride?
The InChIKey is JKTOVIMYTRPFKQ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H4N2.4ClH.Ru/c3*1-2-5-3-4-1;;;;;/h3*1-3H,(H,4,5);4*1H;/q;;;;;;;+3/p-3.
What are the key properties of bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride?
bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride has a molecular weight of 448.13 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);1H-imidazol-1-ium;trichlororuthenium;chloride is sourced from PubChem (CID 15772348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).