1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride

C5H9ClN2 — CID 69345112

IUPAC1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
SMILESC=C[NH+]1C=NCC1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-2-7-4-3-6-5-7;/h2,5H,1,3-4H2;1H
InChIKeyLZZRRHZMJIXRHW-UHFFFAOYSA-N
MW132.59 g/mol
LogP-3.94
Rot. Bonds1

About 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride

1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride (PubChem CID 69345112) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
PubChem CID69345112
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
SMILESC=C[NH+]1C=NCC1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-2-7-4-3-6-5-7;/h2,5H,1,3-4H2;1H
InChIKeyLZZRRHZMJIXRHW-UHFFFAOYSA-N
XLogP-3.94
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 5-3.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethylimidazolium bromide
CID 66724526
1-Ethylimidazolium chloride
CID 19979778
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-Ethenyl-3-methyl-4,5-dihydroimidazol-3-ium chloride
CID 17821328
3-ethenyl-4,5-dihydro-1H-imidazol-3-ium
CID 18541991
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 18945014
4,5-dihydro-1H-imidazole;ethene
CID 19755830
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
1-Ethenyl-1-methyl-4,5-dihydroimidazol-1-ium chloride
CID 20208117
3-methyl-1-propyl-1H-imidazole-1,3-diium
CID 22088709
N,N-diethyl-2-(3-methyl-1H-imidazole-1,3-diium-1-yl)ethanamine
CID 22890001

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride?
The IUPAC name of 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride (CID 69345112) is 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride is C=C[NH+]1C=NCC1.[Cl-].
What is the InChIKey of 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride?
The InChIKey is LZZRRHZMJIXRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-2-7-4-3-6-5-7;/h2,5H,1,3-4H2;1H.
What are the key properties of 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride?
1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride has a molecular weight of 132.59 g/mol, XLogP of -3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride is sourced from PubChem (CID 69345112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).