bis(1-methyl-1H-imidazol-1-ium) dichloride

C8H14Cl2N4 — CID 161380946

IUPACbis(1-methyl-1H-imidazol-1-ium) dichloride
SMILESC[NH+]1C=CN=C1.C[NH+]1C=CN=C1.[Cl-].[Cl-]
InChIInChI=1S/2C4H6N2.2ClH/c2*1-6-3-2-5-4-6;;/h2*2-4H,1H3;2*1H
InChIKeyVRSFKNMYRROVNO-UHFFFAOYSA-N
MW237.13 g/mol
LogP-7.96
Rot. Bonds

About bis(1-methyl-1H-imidazol-1-ium) dichloride

bis(1-methyl-1H-imidazol-1-ium) dichloride (PubChem CID 161380946) has the molecular formula C8H14Cl2N4 and a molecular weight of 237.13 g/mol. Its IUPAC name is bis(1-methyl-1H-imidazol-1-ium) dichloride.

Molecular Properties

Compound Namebis(1-methyl-1H-imidazol-1-ium) dichloride
PubChem CID161380946
Molecular FormulaC8H14Cl2N4
Molecular Weight237.13 g/mol
Exact Mass236.06
IUPAC Namebis(1-methyl-1H-imidazol-1-ium) dichloride
SMILESC[NH+]1C=CN=C1.C[NH+]1C=CN=C1.[Cl-].[Cl-]
InChIInChI=1S/2C4H6N2.2ClH/c2*1-6-3-2-5-4-6;;/h2*2-4H,1H3;2*1H
InChIKeyVRSFKNMYRROVNO-UHFFFAOYSA-N
XLogP-7.96
TPSA33.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 5-7.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-1H-imidazol-1-ium) dichloride?
The IUPAC name of bis(1-methyl-1H-imidazol-1-ium) dichloride (CID 161380946) is bis(1-methyl-1H-imidazol-1-ium) dichloride.
What is the SMILES notation for bis(1-methyl-1H-imidazol-1-ium) dichloride?
The canonical SMILES for bis(1-methyl-1H-imidazol-1-ium) dichloride is C[NH+]1C=CN=C1.C[NH+]1C=CN=C1.[Cl-].[Cl-].
What is the InChIKey of bis(1-methyl-1H-imidazol-1-ium) dichloride?
The InChIKey is VRSFKNMYRROVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.2ClH/c2*1-6-3-2-5-4-6;;/h2*2-4H,1H3;2*1H.
What are the key properties of bis(1-methyl-1H-imidazol-1-ium) dichloride?
bis(1-methyl-1H-imidazol-1-ium) dichloride has a molecular weight of 237.13 g/mol, XLogP of -7.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-1H-imidazol-1-ium) dichloride is sourced from PubChem (CID 161380946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).