1,2-dimethyl-1H-imidazol-1-ium chloride

C5H9ClN2 — CID 66809752

IUPAC1,2-dimethyl-1H-imidazol-1-ium chloride
SMILESCC1=NC=C[NH+]1C.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-5-6-3-4-7(5)2;/h3-4H,1-2H3;1H
InChIKeyPIVSXYQVNSKDFF-UHFFFAOYSA-N
MW132.59 g/mol
LogP-3.59
Rot. Bonds

About 1,2-dimethyl-1H-imidazol-1-ium chloride

1,2-dimethyl-1H-imidazol-1-ium chloride (PubChem CID 66809752) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 1,2-dimethyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1,2-dimethyl-1H-imidazol-1-ium chloride
PubChem CID66809752
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name1,2-dimethyl-1H-imidazol-1-ium chloride
SMILESCC1=NC=C[NH+]1C.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-5-6-3-4-7(5)2;/h3-4H,1-2H3;1H
InChIKeyPIVSXYQVNSKDFF-UHFFFAOYSA-N
XLogP-3.59
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 5-3.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1,2-dimethyl-1H-imidazol-1-ium chloride (CID 66809752) is 1,2-dimethyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1,2-dimethyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1,2-dimethyl-1H-imidazol-1-ium chloride is CC1=NC=C[NH+]1C.[Cl-].
What is the InChIKey of 1,2-dimethyl-1H-imidazol-1-ium chloride?
The InChIKey is PIVSXYQVNSKDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-5-6-3-4-7(5)2;/h3-4H,1-2H3;1H.
What are the key properties of 1,2-dimethyl-1H-imidazol-1-ium chloride?
1,2-dimethyl-1H-imidazol-1-ium chloride has a molecular weight of 132.59 g/mol, XLogP of -3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 66809752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).