chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride

C25H30Cl3N8Os-2 — CID 159092633

IUPACchloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride
SMILESCC(C)c1nccn1C.Cl[Os].Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.[Cl-].[Cl-]
InChIInChI=1S/2C9H9N3.C7H12N2.3ClH.Os/c2*1-12-7-6-11-9(12)8-4-2-3-5-10-8;1-6(2)7-8-4-5-9(7)3;;;;/h2*2-7H,1H3;4-6H,1-3H3;3*1H;/q;;;;;;+1/p-3
InChIKeyKCGLCYBLUVVBQY-UHFFFAOYSA-K
MW739.16 g/mol
LogP-0.80
Rot. Bonds3

About chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride

chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride (PubChem CID 159092633) has the molecular formula C25H30Cl3N8Os-2 and a molecular weight of 739.16 g/mol. Its IUPAC name is chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride.

Molecular Properties

Compound Namechloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride
PubChem CID159092633
Molecular FormulaC25H30Cl3N8Os-2
Molecular Weight739.16 g/mol
Exact Mass739.13
IUPAC Namechloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride
SMILESCC(C)c1nccn1C.Cl[Os].Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.[Cl-].[Cl-]
InChIInChI=1S/2C9H9N3.C7H12N2.3ClH.Os/c2*1-12-7-6-11-9(12)8-4-2-3-5-10-8;1-6(2)7-8-4-5-9(7)3;;;;/h2*2-7H,1H3;4-6H,1-3H3;3*1H;/q;;;;;;+1/p-3
InChIKeyKCGLCYBLUVVBQY-UHFFFAOYSA-K
XLogP-0.80
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500739.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride?
The IUPAC name of chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride (CID 159092633) is chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride.
What is the SMILES notation for chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride?
The canonical SMILES for chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride is CC(C)c1nccn1C.Cl[Os].Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.[Cl-].[Cl-].
What is the InChIKey of chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride?
The InChIKey is KCGLCYBLUVVBQY-UHFFFAOYSA-K. The full InChI is InChI=1S/2C9H9N3.C7H12N2.3ClH.Os/c2*1-12-7-6-11-9(12)8-4-2-3-5-10-8;1-6(2)7-8-4-5-9(7)3;;;;/h2*2-7H,1H3;4-6H,1-3H3;3*1H;/q;;;;;;+1/p-3.
What are the key properties of chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride?
chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride has a molecular weight of 739.16 g/mol, XLogP of -0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride is sourced from PubChem (CID 159092633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).