copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate

C12H12Cl2CuN8O8 — CID 139144832

IUPACcopper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1nc(-c2c[nH]cn2)c[nH]1.c1nc(-c2c[nH]cn2)c[nH]1
InChIInChI=1S/2C6H6N4.2ClHO4.Cu/c2*1-5(9-3-7-1)6-2-8-4-10-6;2*2-1(3,4)5;/h2*1-4H,(H,7,9)(H,8,10);2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyRSYAEIUZDJHQDI-UHFFFAOYSA-L
MW530.73 g/mol
LogP-7.91
Rot. Bonds2

About copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate

copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate (PubChem CID 139144832) has the molecular formula C12H12Cl2CuN8O8 and a molecular weight of 530.73 g/mol. Its IUPAC name is copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate.

Molecular Properties

Compound Namecopper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate
PubChem CID139144832
Molecular FormulaC12H12Cl2CuN8O8
Molecular Weight530.73 g/mol
Exact Mass528.95
IUPAC Namecopper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1nc(-c2c[nH]cn2)c[nH]1.c1nc(-c2c[nH]cn2)c[nH]1
InChIInChI=1S/2C6H6N4.2ClHO4.Cu/c2*1-5(9-3-7-1)6-2-8-4-10-6;2*2-1(3,4)5;/h2*1-4H,(H,7,9)(H,8,10);2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyRSYAEIUZDJHQDI-UHFFFAOYSA-L
XLogP-7.91
TPSA299.20 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.73
LogP ≤ 5-7.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate?
The IUPAC name of copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate (CID 139144832) is copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate.
What is the SMILES notation for copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate?
The canonical SMILES for copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate is [Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1nc(-c2c[nH]cn2)c[nH]1.c1nc(-c2c[nH]cn2)c[nH]1.
What is the InChIKey of copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate?
The InChIKey is RSYAEIUZDJHQDI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6N4.2ClHO4.Cu/c2*1-5(9-3-7-1)6-2-8-4-10-6;2*2-1(3,4)5;/h2*1-4H,(H,7,9)(H,8,10);2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate?
copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate has a molecular weight of 530.73 g/mol, XLogP of -7.91, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4-(1H-imidazol-4-yl)-1H-imidazole);diperchlorate is sourced from PubChem (CID 139144832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).