2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)

C26H21N8Ru — CID 59551813

IUPAC2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
SMILES[Ru+].c1c[n-]c(-c2ncc[nH]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H5N4.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;/h2*1-8H;1-4H,(H-,7,8,9,10);/q;;-1;+1
InChIKeyIOOFSXRPPOHEKE-UHFFFAOYSA-N
MW546.58 g/mol
LogP4.71
Rot. Bonds3

About 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)

2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+) (PubChem CID 59551813) has the molecular formula C26H21N8Ru and a molecular weight of 546.58 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+).

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
PubChem CID59551813
Molecular FormulaC26H21N8Ru
Molecular Weight546.58 g/mol
Exact Mass547.09
IUPAC Name2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
SMILES[Ru+].c1c[n-]c(-c2ncc[nH]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H5N4.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;/h2*1-8H;1-4H,(H-,7,8,9,10);/q;;-1;+1
InChIKeyIOOFSXRPPOHEKE-UHFFFAOYSA-N
XLogP4.71
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; pyrazine; 2-(2-pyridyl)pyridine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980900
1H-imidazole;bis(2-pyridin-2-ylpyridine);ruthenium
CID 49867583
1H-imidazole;bis(2-pyridin-2-ylpyridine);ruthenium
CID 173101958
tetrakis(2,6-bis(1H-imidazol-2-yl)pyridine);bis(manganese(2+));tetrakis(trifluoromethanesulfonate)
CID 139155467
2,5-Bis[2-benzimidazolylimino]-3a,6a-bis(2-pyridyl)-1,2,3,3a,4,5,6,6a-octahydroimidazo[4,5-d]imidazole
CID 9828265
(4S)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95196712
2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)
CID 158475353
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
CID 161016923
2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 170783907
75 2-(4-(2-(6-Methylpyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)pyridin-2-yl)-4,5,6,7-tetrahydro-3H-imidazolo[4,5-c]pyridine
CID 176356769
13 5-(1-Methylpiperidin-4-yl)-2-(4-(2-(6-methylpyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)pyridin-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 176356771
Imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 444551

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The IUPAC name of 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+) (CID 59551813) is 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+).
What is the SMILES notation for 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The canonical SMILES for 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+) is [Ru+].c1c[n-]c(-c2ncc[nH]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The InChIKey is IOOFSXRPPOHEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C6H5N4.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;/h2*1-8H;1-4H,(H-,7,8,9,10);/q;;-1;+1.
What are the key properties of 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+) has a molecular weight of 546.58 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+) is sourced from PubChem (CID 59551813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).