1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium

C7H15N2O+ — CID 138677981

IUPAC1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium
SMILESCOCCN1C=[N+](C)CC1
InChIInChI=1S/C7H15N2O/c1-8-3-4-9(7-8)5-6-10-2/h7H,3-6H2,1-2H3/q+1
InChIKeyBNKGHVURXGKFCU-UHFFFAOYSA-N
MW143.21 g/mol
LogP-0.38
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium

1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium (PubChem CID 138677981) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium
PubChem CID138677981
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium
SMILESCOCCN1C=[N+](C)CC1
InChIInChI=1S/C7H15N2O/c1-8-3-4-9(7-8)5-6-10-2/h7H,3-6H2,1-2H3/q+1
InChIKeyBNKGHVURXGKFCU-UHFFFAOYSA-N
XLogP-0.38
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
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 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium (CID 138677981) is 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium is COCCN1C=[N+](C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium?
The InChIKey is BNKGHVURXGKFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O/c1-8-3-4-9(7-8)5-6-10-2/h7H,3-6H2,1-2H3/q+1.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium?
1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium has a molecular weight of 143.21 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium is sourced from PubChem (CID 138677981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).