dichloromercury;bis(1-methylimidazole)

C8H12Cl2HgN4 — CID 67805046

IUPACdichloromercury;bis(1-methylimidazole)
SMILESCl[Hg]Cl.Cn1ccnc1.Cn1ccnc1
InChIInChI=1S/2C4H6N2.2ClH.Hg/c2*1-6-3-2-5-4-6;;;/h2*2-4H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyWKCUKEQHIISQEB-UHFFFAOYSA-L
MW435.71 g/mol
LogP2.22
Rot. Bonds

About dichloromercury;bis(1-methylimidazole)

dichloromercury;bis(1-methylimidazole) (PubChem CID 67805046) has the molecular formula C8H12Cl2HgN4 and a molecular weight of 435.71 g/mol. Its IUPAC name is dichloromercury;bis(1-methylimidazole).

Molecular Properties

Compound Namedichloromercury;bis(1-methylimidazole)
PubChem CID67805046
Molecular FormulaC8H12Cl2HgN4
Molecular Weight435.71 g/mol
Exact Mass436.01
IUPAC Namedichloromercury;bis(1-methylimidazole)
SMILESCl[Hg]Cl.Cn1ccnc1.Cn1ccnc1
InChIInChI=1S/2C4H6N2.2ClH.Hg/c2*1-6-3-2-5-4-6;;;/h2*2-4H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyWKCUKEQHIISQEB-UHFFFAOYSA-L
XLogP2.22
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 22075407
hydron;1-methylimidazole
CID 67251829
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CID 174841078
CID 173148040
CID 173148040
azane;1-methylimidazole;platinum(2+);dichloride
CID 10270176
ethene;1-methylimidazole
CID 70468306
chloroethane;1-methylimidazole
CID 67152789
barium(2+);ethane;1-methylimidazole;difluoride
CID 144994303
ethane;1-methylimidazole;N-methylmethanamine
CID 142299276
hydron;1-methylimidazole;tetrafluoroborate
CID 122361255
tetrakis(1-methylimidazole);platinum(2+);diperchlorate
CID 139054952
fluoroboronic acid;1-methylimidazole
CID 67999343

Frequently Asked Questions

What is the IUPAC name of dichloromercury;bis(1-methylimidazole)?
The IUPAC name of dichloromercury;bis(1-methylimidazole) (CID 67805046) is dichloromercury;bis(1-methylimidazole).
What is the SMILES notation for dichloromercury;bis(1-methylimidazole)?
The canonical SMILES for dichloromercury;bis(1-methylimidazole) is Cl[Hg]Cl.Cn1ccnc1.Cn1ccnc1.
What is the InChIKey of dichloromercury;bis(1-methylimidazole)?
The InChIKey is WKCUKEQHIISQEB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6N2.2ClH.Hg/c2*1-6-3-2-5-4-6;;;/h2*2-4H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloromercury;bis(1-methylimidazole)?
dichloromercury;bis(1-methylimidazole) has a molecular weight of 435.71 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromercury;bis(1-methylimidazole) is sourced from PubChem (CID 67805046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).