1H-imidazole;nickel(2+);dichloride

C3H4Cl2N2Ni — CID 175789081

IUPAC1H-imidazole;nickel(2+);dichloride
SMILES[Cl-].[Cl-].[Ni+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.2ClH.Ni/c1-2-5-3-4-1;;;/h1-3H,(H,4,5);2*1H;/q;;;+2/p-2
InChIKeyPNNFZGRGGIJFPH-UHFFFAOYSA-L
MW197.68 g/mol
LogP-5.58
Rot. Bonds

About 1H-imidazole;nickel(2+);dichloride

1H-imidazole;nickel(2+);dichloride (PubChem CID 175789081) has the molecular formula C3H4Cl2N2Ni and a molecular weight of 197.68 g/mol. Its IUPAC name is 1H-imidazole;nickel(2+);dichloride.

Molecular Properties

Compound Name1H-imidazole;nickel(2+);dichloride
PubChem CID175789081
Molecular FormulaC3H4Cl2N2Ni
Molecular Weight197.68 g/mol
Exact Mass195.91
IUPAC Name1H-imidazole;nickel(2+);dichloride
SMILES[Cl-].[Cl-].[Ni+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.2ClH.Ni/c1-2-5-3-4-1;;;/h1-3H,(H,4,5);2*1H;/q;;;+2/p-2
InChIKeyPNNFZGRGGIJFPH-UHFFFAOYSA-L
XLogP-5.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.68
LogP ≤ 5-5.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;nickel(2+);dichloride?
The IUPAC name of 1H-imidazole;nickel(2+);dichloride (CID 175789081) is 1H-imidazole;nickel(2+);dichloride.
What is the SMILES notation for 1H-imidazole;nickel(2+);dichloride?
The canonical SMILES for 1H-imidazole;nickel(2+);dichloride is [Cl-].[Cl-].[Ni+2].c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;nickel(2+);dichloride?
The InChIKey is PNNFZGRGGIJFPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4N2.2ClH.Ni/c1-2-5-3-4-1;;;/h1-3H,(H,4,5);2*1H;/q;;;+2/p-2.
What are the key properties of 1H-imidazole;nickel(2+);dichloride?
1H-imidazole;nickel(2+);dichloride has a molecular weight of 197.68 g/mol, XLogP of -5.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;nickel(2+);dichloride is sourced from PubChem (CID 175789081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).