cadmium;octakis(1H-imidazol-3-ium);decachloride

C24H40Cd2Cl10N16-2 — CID 139132646

IUPACcadmium;octakis(1H-imidazol-3-ium);decachloride
SMILES[Cd].[Cd].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1
InChIInChI=1S/8C3H4N2.2Cd.10ClH/c8*1-2-5-3-4-1;;;;;;;;;;;;/h8*1-3H,(H,4,5);;;10*1H/p-2
InChIKeyWOJRKUOJZYFDNT-UHFFFAOYSA-L
MW1132.05 g/mol
LogP-31.33
Rot. Bonds

About cadmium;octakis(1H-imidazol-3-ium);decachloride

cadmium;octakis(1H-imidazol-3-ium);decachloride (PubChem CID 139132646) has the molecular formula C24H40Cd2Cl10N16-2 and a molecular weight of 1132.05 g/mol. Its IUPAC name is cadmium;octakis(1H-imidazol-3-ium);decachloride.

Molecular Properties

Compound Namecadmium;octakis(1H-imidazol-3-ium);decachloride
PubChem CID139132646
Molecular FormulaC24H40Cd2Cl10N16-2
Molecular Weight1132.05 g/mol
Exact Mass1129.86
IUPAC Namecadmium;octakis(1H-imidazol-3-ium);decachloride
SMILES[Cd].[Cd].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1
InChIInChI=1S/8C3H4N2.2Cd.10ClH/c8*1-2-5-3-4-1;;;;;;;;;;;;/h8*1-3H,(H,4,5);;;10*1H/p-2
InChIKeyWOJRKUOJZYFDNT-UHFFFAOYSA-L
XLogP-31.33
TPSA239.44 Ų
H-Bond Donors8
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.05
LogP ≤ 5-31.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cadmium;octakis(1H-imidazol-3-ium);decachloride?
The IUPAC name of cadmium;octakis(1H-imidazol-3-ium);decachloride (CID 139132646) is cadmium;octakis(1H-imidazol-3-ium);decachloride.
What is the SMILES notation for cadmium;octakis(1H-imidazol-3-ium);decachloride?
The canonical SMILES for cadmium;octakis(1H-imidazol-3-ium);decachloride is [Cd].[Cd].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.
What is the InChIKey of cadmium;octakis(1H-imidazol-3-ium);decachloride?
The InChIKey is WOJRKUOJZYFDNT-UHFFFAOYSA-L. The full InChI is InChI=1S/8C3H4N2.2Cd.10ClH/c8*1-2-5-3-4-1;;;;;;;;;;;;/h8*1-3H,(H,4,5);;;10*1H/p-2.
What are the key properties of cadmium;octakis(1H-imidazol-3-ium);decachloride?
cadmium;octakis(1H-imidazol-3-ium);decachloride has a molecular weight of 1132.05 g/mol, XLogP of -31.33, 0 rotatable bonds, 8 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;octakis(1H-imidazol-3-ium);decachloride is sourced from PubChem (CID 139132646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).