2,4-dimethyl-1H-imidazol-1-ium chloride

C5H9ClN2 — CID 67915380

IUPAC2,4-dimethyl-1H-imidazol-1-ium chloride
SMILESCC1=C[NH2+]C(C)=N1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-4-3-6-5(2)7-4;/h3H,1-2H3,(H,6,7);1H
InChIKeyVEOGZFDBTMWPDV-UHFFFAOYSA-N
MW132.59 g/mol
LogP-3.15
Rot. Bonds

About 2,4-dimethyl-1H-imidazol-1-ium chloride

2,4-dimethyl-1H-imidazol-1-ium chloride (PubChem CID 67915380) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 2,4-dimethyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name2,4-dimethyl-1H-imidazol-1-ium chloride
PubChem CID67915380
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name2,4-dimethyl-1H-imidazol-1-ium chloride
SMILESCC1=C[NH2+]C(C)=N1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-4-3-6-5(2)7-4;/h3H,1-2H3,(H,6,7);1H
InChIKeyVEOGZFDBTMWPDV-UHFFFAOYSA-N
XLogP-3.15
TPSA28.97 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 ≤ 5-3.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1H-imidazol-1-ium chloride
CID 53447252
2-ethyl-4-methyl-1H-imidazol-1-ium
CID 21549851
4-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 21705671
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
2-ethyl-4-methyl-1H-imidazol-1-ium bromide
CID 67927808
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
N-[(E)-2-amino-3-iodoprop-1-enyl]-N'-methylethanimidamide
CID 89843205
N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
CID 123307868
N'-methyl-N-prop-1-enylethanimidamide
CID 123478909
N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide
CID 123741957

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1H-imidazol-1-ium chloride?
The IUPAC name of 2,4-dimethyl-1H-imidazol-1-ium chloride (CID 67915380) is 2,4-dimethyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 2,4-dimethyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 2,4-dimethyl-1H-imidazol-1-ium chloride is CC1=C[NH2+]C(C)=N1.[Cl-].
What is the InChIKey of 2,4-dimethyl-1H-imidazol-1-ium chloride?
The InChIKey is VEOGZFDBTMWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-4-3-6-5(2)7-4;/h3H,1-2H3,(H,6,7);1H.
What are the key properties of 2,4-dimethyl-1H-imidazol-1-ium chloride?
2,4-dimethyl-1H-imidazol-1-ium chloride has a molecular weight of 132.59 g/mol, XLogP of -3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 67915380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).