4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium

C7H15N2O+ — CID 69331695

IUPAC4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium
SMILESCCC1CN(O)C(C)=[N+]1C
InChIInChI=1S/C7H15N2O/c1-4-7-5-9(10)6(2)8(7)3/h7,10H,4-5H2,1-3H3/q+1
InChIKeyZOEUKIPFDXBPGH-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.53
Rot. Bonds1

About 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium

4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium (PubChem CID 69331695) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium
PubChem CID69331695
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium
SMILESCCC1CN(O)C(C)=[N+]1C
InChIInChI=1S/C7H15N2O/c1-4-7-5-9(10)6(2)8(7)3/h7,10H,4-5H2,1-3H3/q+1
InChIKeyZOEUKIPFDXBPGH-UHFFFAOYSA-N
XLogP0.53
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium?
The IUPAC name of 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium (CID 69331695) is 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium.
What is the SMILES notation for 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium?
The canonical SMILES for 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium is CCC1CN(O)C(C)=[N+]1C.
What is the InChIKey of 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium?
The InChIKey is ZOEUKIPFDXBPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O/c1-4-7-5-9(10)6(2)8(7)3/h7,10H,4-5H2,1-3H3/q+1.
What are the key properties of 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium?
4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium has a molecular weight of 143.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-hydroxy-2,3-dimethyl-4,5-dihydroimidazol-3-ium is sourced from PubChem (CID 69331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).