4,4-dimethylimidazole;hydrochloride

C5H9ClN2 — CID 174618347

IUPAC4,4-dimethylimidazole;hydrochloride
SMILESCC1(C)C=NC=N1.Cl
InChIInChI=1S/C5H8N2.ClH/c1-5(2)3-6-4-7-5;/h3-4H,1-2H3;1H
InChIKeyXAOXPNXALNBCFK-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.30
Rot. Bonds

About 4,4-dimethylimidazole;hydrochloride

4,4-dimethylimidazole;hydrochloride (PubChem CID 174618347) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 4,4-dimethylimidazole;hydrochloride.

Molecular Properties

Compound Name4,4-dimethylimidazole;hydrochloride
PubChem CID174618347
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name4,4-dimethylimidazole;hydrochloride
SMILESCC1(C)C=NC=N1.Cl
InChIInChI=1S/C5H8N2.ClH/c1-5(2)3-6-4-7-5;/h3-4H,1-2H3;1H
InChIKeyXAOXPNXALNBCFK-UHFFFAOYSA-N
XLogP1.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylimidazole;hydrochloride?
The IUPAC name of 4,4-dimethylimidazole;hydrochloride (CID 174618347) is 4,4-dimethylimidazole;hydrochloride.
What is the SMILES notation for 4,4-dimethylimidazole;hydrochloride?
The canonical SMILES for 4,4-dimethylimidazole;hydrochloride is CC1(C)C=NC=N1.Cl.
What is the InChIKey of 4,4-dimethylimidazole;hydrochloride?
The InChIKey is XAOXPNXALNBCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-5(2)3-6-4-7-5;/h3-4H,1-2H3;1H.
What are the key properties of 4,4-dimethylimidazole;hydrochloride?
4,4-dimethylimidazole;hydrochloride has a molecular weight of 132.59 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylimidazole;hydrochloride is sourced from PubChem (CID 174618347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).