bis(1H-imidazole);dihydrochloride

C6H10Cl2N4 — CID 173058231

IUPACbis(1H-imidazole);dihydrochloride
SMILESCl.Cl.c1c[nH]cn1.c1c[nH]cn1
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
LogP1.66
Rot. Bonds

About bis(1H-imidazole);dihydrochloride

bis(1H-imidazole);dihydrochloride (PubChem CID 173058231) has the molecular formula C6H10Cl2N4 and a molecular weight of 209.08 g/mol. Its IUPAC name is bis(1H-imidazole);dihydrochloride.

Molecular Properties

Compound Namebis(1H-imidazole);dihydrochloride
PubChem CID173058231
Molecular FormulaC6H10Cl2N4
Molecular Weight209.08 g/mol
Exact Mass208.03
IUPAC Namebis(1H-imidazole);dihydrochloride
SMILESCl.Cl.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/2C3H4N2.2ClH/c2*1-2-5-3-4-1;;/h2*1-3H,(H,4,5);2*1H
InChIKeyPNCJGBTZSPZHGY-UHFFFAOYSA-N
XLogP1.66
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);dihydrochloride?
The IUPAC name of bis(1H-imidazole);dihydrochloride (CID 173058231) is bis(1H-imidazole);dihydrochloride.
What is the SMILES notation for bis(1H-imidazole);dihydrochloride?
The canonical SMILES for bis(1H-imidazole);dihydrochloride is Cl.Cl.c1c[nH]cn1.c1c[nH]cn1.
What is the InChIKey of bis(1H-imidazole);dihydrochloride?
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-imidazole);dihydrochloride?
bis(1H-imidazole);dihydrochloride has a molecular weight of 209.08 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);dihydrochloride is sourced from PubChem (CID 173058231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).