1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride

C5H10Cl2N2 — CID 18945014

IUPAC1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
SMILESCC[NH+]1C=CN=C1.Cl.[Cl-]
InChIInChI=1S/C5H8N2.2ClH/c1-2-7-4-3-6-5-7;;/h3-5H,2H2,1H3;2*1H
InChIKeyCXNZVEBVSOMKOP-UHFFFAOYSA-N
MW169.06 g/mol
LogP-3.17
Rot. Bonds1

About 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride

1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride (PubChem CID 18945014) has the molecular formula C5H10Cl2N2 and a molecular weight of 169.06 g/mol. Its IUPAC name is 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride.

Molecular Properties

Compound Name1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
PubChem CID18945014
Molecular FormulaC5H10Cl2N2
Molecular Weight169.06 g/mol
Exact Mass168.02
IUPAC Name1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
SMILESCC[NH+]1C=CN=C1.Cl.[Cl-]
InChIInChI=1S/C5H8N2.2ClH/c1-2-7-4-3-6-5-7;;/h3-5H,2H2,1H3;2*1H
InChIKeyCXNZVEBVSOMKOP-UHFFFAOYSA-N
XLogP-3.17
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.06
LogP ≤ 5-3.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethylimidazolium bromide
CID 66724526
1-Ethylimidazolium chloride
CID 19979778
1,2-Dimethylimidazolium chloride
CID 66809752
1-methyl-1H-imidazol-1-ium
CID 59438645
Methyl 1h imidazolium fluoride
CID 69338659
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-tert-butyl-1H-imidazol-1-ium
CID 17835947
3-ethenyl-4,5-dihydro-1H-imidazol-3-ium
CID 18541991
1-methyl-1H-imidazol-1-ium iodide
CID 18699301
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
bis(1H-imidazol-1-ium) dichloride
CID 21746978

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride?
The IUPAC name of 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride (CID 18945014) is 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride.
What is the SMILES notation for 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride?
The canonical SMILES for 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride is CC[NH+]1C=CN=C1.Cl.[Cl-].
What is the InChIKey of 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride?
The InChIKey is CXNZVEBVSOMKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.2ClH/c1-2-7-4-3-6-5-7;;/h3-5H,2H2,1H3;2*1H.
What are the key properties of 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride?
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride has a molecular weight of 169.06 g/mol, XLogP of -3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride is sourced from PubChem (CID 18945014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).