1-ethenyl-2-methyl-1H-imidazol-1-ium chloride

C6H9ClN2 — CID 66874945

IUPAC1-ethenyl-2-methyl-1H-imidazol-1-ium chloride
SMILESC=C[NH+]1C=CN=C1C.[Cl-]
InChIInChI=1S/C6H8N2.ClH/c1-3-8-5-4-7-6(8)2;/h3-5H,1H2,2H3;1H
InChIKeyODBODOCTVKVFBH-UHFFFAOYSA-N
MW144.60 g/mol
LogP-3.08
Rot. Bonds1

About 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride

1-ethenyl-2-methyl-1H-imidazol-1-ium chloride (PubChem CID 66874945) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-ethenyl-2-methyl-1H-imidazol-1-ium chloride
PubChem CID66874945
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name1-ethenyl-2-methyl-1H-imidazol-1-ium chloride
SMILESC=C[NH+]1C=CN=C1C.[Cl-]
InChIInChI=1S/C6H8N2.ClH/c1-3-8-5-4-7-6(8)2;/h3-5H,1H2,2H3;1H
InChIKeyODBODOCTVKVFBH-UHFFFAOYSA-N
XLogP-3.08
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 5-3.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethylimidazolium chloride
CID 19979778
1,2-Dimethylimidazolium chloride
CID 66809752
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 18945014
2-methyl-1H-imidazol-1-ium
CID 19047642
1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1-Ethenyl-1,2-dimethylimidazol-1-ium chloride
CID 22400013
1,3-dimethyl-1H-imidazole-1,3-diium
CID 22947747
1-ethyl-1H-imidazol-1-ium
CID 23288726
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride (CID 66874945) is 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride is C=C[NH+]1C=CN=C1C.[Cl-].
What is the InChIKey of 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride?
The InChIKey is ODBODOCTVKVFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c1-3-8-5-4-7-6(8)2;/h3-5H,1H2,2H3;1H.
What are the key properties of 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride?
1-ethenyl-2-methyl-1H-imidazol-1-ium chloride has a molecular weight of 144.60 g/mol, XLogP of -3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 66874945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).