tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium

C18H18N12Ru — CID 20805474

IUPACtris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
SMILES[Ru].c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1
InChIInChI=1S/3C6H6N4.Ru/c3*1-2-8-5(7-1)6-9-3-4-10-6;/h3*1-4H,(H,7,8)(H,9,10);
InChIKeyAIDOJCOADIYACH-UHFFFAOYSA-N
MW503.50 g/mol
LogP2.40
Rot. Bonds3

About tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium

tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium (PubChem CID 20805474) has the molecular formula C18H18N12Ru and a molecular weight of 503.50 g/mol. Its IUPAC name is tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium.

Molecular Properties

Compound Nametris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
PubChem CID20805474
Molecular FormulaC18H18N12Ru
Molecular Weight503.50 g/mol
Exact Mass504.08
IUPAC Nametris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
SMILES[Ru].c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1
InChIInChI=1S/3C6H6N4.Ru/c3*1-2-8-5(7-1)6-9-3-4-10-6;/h3*1-4H,(H,7,8)(H,9,10);
InChIKeyAIDOJCOADIYACH-UHFFFAOYSA-N
XLogP2.40
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.50
LogP ≤ 52.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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1H-imidazol-2-yloxymethanethiol
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2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole
CID 83402165
2-(1H-imidazol-2-yl)phenolate
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2-(4-bromophenyl)-1H-imidazole;hydrobromide
CID 174990772
2-(3,4,5-trichlorophenyl)-1H-imidazole
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2-[5-(1H-imidazol-2-yl)-2,6-dimethoxynaphthalen-1-yl]-1H-imidazole
CID 169050106
2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride
CID 159025914
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CID 130738865

Frequently Asked Questions

What is the IUPAC name of tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium?
The IUPAC name of tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium (CID 20805474) is tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium.
What is the SMILES notation for tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium?
The canonical SMILES for tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium is [Ru].c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1.
What is the InChIKey of tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium?
The InChIKey is AIDOJCOADIYACH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6N4.Ru/c3*1-2-8-5(7-1)6-9-3-4-10-6;/h3*1-4H,(H,7,8)(H,9,10);.
What are the key properties of tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium?
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium has a molecular weight of 503.50 g/mol, XLogP of 2.40, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium is sourced from PubChem (CID 20805474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).