copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate

C12H16CuN8O3 — CID 139144833

IUPACcopper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate
SMILESO.O.O.[Cu+2].c1ncc(-c2c[nH]cn2)[n-]1.c1ncc(-c2c[nH]cn2)[n-]1
InChIInChI=1S/2C6H5N4.Cu.3H2O/c2*1-5(9-3-7-1)6-2-8-4-10-6;;;;/h2*1-4H,(H-,7,8,9,10);;3*1H2/q2*-1;+2;;;
InChIKeyUKEJBXPXGLHIEJ-UHFFFAOYSA-N
MW383.86 g/mol
LogP-1.62
Rot. Bonds2

About copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate

copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate (PubChem CID 139144833) has the molecular formula C12H16CuN8O3 and a molecular weight of 383.86 g/mol. Its IUPAC name is copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate.

Molecular Properties

Compound Namecopper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate
PubChem CID139144833
Molecular FormulaC12H16CuN8O3
Molecular Weight383.86 g/mol
Exact Mass383.06
IUPAC Namecopper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate
SMILESO.O.O.[Cu+2].c1ncc(-c2c[nH]cn2)[n-]1.c1ncc(-c2c[nH]cn2)[n-]1
InChIInChI=1S/2C6H5N4.Cu.3H2O/c2*1-5(9-3-7-1)6-2-8-4-10-6;;;;/h2*1-4H,(H-,7,8,9,10);;3*1H2/q2*-1;+2;;;
InChIKeyUKEJBXPXGLHIEJ-UHFFFAOYSA-N
XLogP-1.62
TPSA205.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate?
The IUPAC name of copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate (CID 139144833) is copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate.
What is the SMILES notation for copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate?
The canonical SMILES for copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate is O.O.O.[Cu+2].c1ncc(-c2c[nH]cn2)[n-]1.c1ncc(-c2c[nH]cn2)[n-]1.
What is the InChIKey of copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate?
The InChIKey is UKEJBXPXGLHIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5N4.Cu.3H2O/c2*1-5(9-3-7-1)6-2-8-4-10-6;;;;/h2*1-4H,(H-,7,8,9,10);;3*1H2/q2*-1;+2;;;.
What are the key properties of copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate?
copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate has a molecular weight of 383.86 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4-(1H-imidazol-4-yl)imidazol-3-ide);trihydrate is sourced from PubChem (CID 139144833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).