1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium

C5H11N2O+ — CID 57120333

IUPAC1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium
SMILESCC[N+]1(O)C=NCC1
InChIInChI=1S/C5H11N2O/c1-2-7(8)4-3-6-5-7/h5,8H,2-4H2,1H3/q+1
InChIKeyKZTSOZCEHWEVMX-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.25
Rot. Bonds1

About 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium

1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium (PubChem CID 57120333) has the molecular formula C5H11N2O+ and a molecular weight of 115.16 g/mol. Its IUPAC name is 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium
PubChem CID57120333
Molecular FormulaC5H11N2O+
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium
SMILESCC[N+]1(O)C=NCC1
InChIInChI=1S/C5H11N2O/c1-2-7(8)4-3-6-5-7/h5,8H,2-4H2,1H3/q+1
InChIKeyKZTSOZCEHWEVMX-UHFFFAOYSA-N
XLogP0.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl imidazoline
CID 485092
1-Hydroxyimidazoline
CID 21225239
Methoxyimidazoline
CID 68739257
1-Ethyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 14151189
1,3-Dimethyl-4,5-dihydroimidazol-1-ium hydroxide
CID 20238537
1,3-Diethyl-4,5-dihydroimidazol-1-ium
CID 22044354
1-Ethyl-1-methyl-4,5-dihydroimidazol-1-ium
CID 57008390
1-Hydroxy-3-methyl-4,5-dihydroimidazol-3-ium-2-ol
CID 57072996
3-Hydroxy-1,1-dimethyl-4,5-dihydroimidazole-1,3-diium
CID 57144530
1-Methyl-1-oxido-4,5-dihydroimidazol-1-ium
CID 57468054
1-(2-Methylpropyl)-1-oxido-4,5-dihydroimidazol-1-ium
CID 57468056
1,1-Dimethyl-4,5-dihydroimidazol-1-ium hydroxide
CID 70468836

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium (CID 57120333) is 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium is CC[N+]1(O)C=NCC1.
What is the InChIKey of 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium?
The InChIKey is KZTSOZCEHWEVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O/c1-2-7(8)4-3-6-5-7/h5,8H,2-4H2,1H3/q+1.
What are the key properties of 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium?
1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium has a molecular weight of 115.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 57120333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).