1-ethyl-1H-imidazol-1-ium

C5H9N2+ — CID 23288726

IUPAC1-ethyl-1H-imidazol-1-ium
SMILESCC[NH+]1C=CN=C1
InChIInChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3/p+1
InChIKeyIWDFHWZHHOSSGR-UHFFFAOYSA-O
MW97.14 g/mol
LogP-0.60
Rot. Bonds1

About 1-ethyl-1H-imidazol-1-ium

1-ethyl-1H-imidazol-1-ium (PubChem CID 23288726) has the molecular formula C5H9N2+ and a molecular weight of 97.14 g/mol. Its IUPAC name is 1-ethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-1H-imidazol-1-ium
PubChem CID23288726
Molecular FormulaC5H9N2+
Molecular Weight97.14 g/mol
Exact Mass97.08
IUPAC Name1-ethyl-1H-imidazol-1-ium
SMILESCC[NH+]1C=CN=C1
InChIInChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3/p+1
InChIKeyIWDFHWZHHOSSGR-UHFFFAOYSA-O
XLogP-0.60
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.14
LogP ≤ 5-0.60
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-Ethylimidazolium nitrate
CID 67119975
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-Ethyl-1-methylimidazol-1-ium
CID 14324719
1-Ethenyl-1-ethylimidazol-1-ium
CID 17778815
1-tert-butyl-1H-imidazol-1-ium
CID 17835947
3-ethenyl-4,5-dihydro-1H-imidazol-3-ium
CID 18541991

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1H-imidazol-1-ium?
The IUPAC name of 1-ethyl-1H-imidazol-1-ium (CID 23288726) is 1-ethyl-1H-imidazol-1-ium.
What is the SMILES notation for 1-ethyl-1H-imidazol-1-ium?
The canonical SMILES for 1-ethyl-1H-imidazol-1-ium is CC[NH+]1C=CN=C1.
What is the InChIKey of 1-ethyl-1H-imidazol-1-ium?
The InChIKey is IWDFHWZHHOSSGR-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3/p+1.
What are the key properties of 1-ethyl-1H-imidazol-1-ium?
1-ethyl-1H-imidazol-1-ium has a molecular weight of 97.14 g/mol, XLogP of -0.60, 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 is sourced from PubChem (CID 23288726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).