bis(1H-imidazol-3-ium) dichloride

C6H10Cl2N4 — CID 67268633

IUPACbis(1H-imidazol-3-ium) dichloride
SMILES[Cl-].[Cl-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1
InChIInChI=1S/2C3H4N2.2ClH/c2*1-2-5-3-4-1;;/h2*1-3H,(H,4,5);2*1H
InChIKeyPNCJGBTZSPZHGY-UHFFFAOYSA-N
MW209.08 g/mol
LogP-6.33
Rot. Bonds

About bis(1H-imidazol-3-ium) dichloride

bis(1H-imidazol-3-ium) dichloride (PubChem CID 67268633) has the molecular formula C6H10Cl2N4 and a molecular weight of 209.08 g/mol. Its IUPAC name is bis(1H-imidazol-3-ium) dichloride.

Molecular Properties

Compound Namebis(1H-imidazol-3-ium) dichloride
PubChem CID67268633
Molecular FormulaC6H10Cl2N4
Molecular Weight209.08 g/mol
Exact Mass208.03
IUPAC Namebis(1H-imidazol-3-ium) dichloride
SMILES[Cl-].[Cl-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1
InChIInChI=1S/2C3H4N2.2ClH/c2*1-2-5-3-4-1;;/h2*1-3H,(H,4,5);2*1H
InChIKeyPNCJGBTZSPZHGY-UHFFFAOYSA-N
XLogP-6.33
TPSA59.86 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 5-6.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazol-3-ium) dichloride?
The IUPAC name of bis(1H-imidazol-3-ium) dichloride (CID 67268633) is bis(1H-imidazol-3-ium) dichloride.
What is the SMILES notation for bis(1H-imidazol-3-ium) dichloride?
The canonical SMILES for bis(1H-imidazol-3-ium) dichloride is [Cl-].[Cl-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.
What is the InChIKey of bis(1H-imidazol-3-ium) dichloride?
The InChIKey is PNCJGBTZSPZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N2.2ClH/c2*1-2-5-3-4-1;;/h2*1-3H,(H,4,5);2*1H.
What are the key properties of bis(1H-imidazol-3-ium) dichloride?
bis(1H-imidazol-3-ium) dichloride has a molecular weight of 209.08 g/mol, XLogP of -6.33, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazol-3-ium) dichloride is sourced from PubChem (CID 67268633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).