1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium

C13H27N2O4+ — CID 57246999

IUPAC1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium
SMILESCOCCOCCN1C=[N+](CCOCCOC)CC1
InChIInChI=1S/C13H27N2O4/c1-16-9-11-18-7-5-14-3-4-15(13-14)6-8-19-12-10-17-2/h13H,3-12H2,1-2H3/q+1
InChIKeyQHYROMZSTGXAOS-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.33
Rot. Bonds12

About 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium

1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium (PubChem CID 57246999) has the molecular formula C13H27N2O4+ and a molecular weight of 275.37 g/mol. Its IUPAC name is 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium
PubChem CID57246999
Molecular FormulaC13H27N2O4+
Molecular Weight275.37 g/mol
Exact Mass275.20
IUPAC Name1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium
SMILESCOCCOCCN1C=[N+](CCOCCOC)CC1
InChIInChI=1S/C13H27N2O4/c1-16-9-11-18-7-5-14-3-4-15(13-14)6-8-19-12-10-17-2/h13H,3-12H2,1-2H3/q+1
InChIKeyQHYROMZSTGXAOS-UHFFFAOYSA-N
XLogP-0.33
TPSA43.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium (CID 57246999) is 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium is COCCOCCN1C=[N+](CCOCCOC)CC1.
What is the InChIKey of 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium?
The InChIKey is QHYROMZSTGXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O4/c1-16-9-11-18-7-5-14-3-4-15(13-14)6-8-19-12-10-17-2/h13H,3-12H2,1-2H3/q+1.
What are the key properties of 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium?
1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium has a molecular weight of 275.37 g/mol, XLogP of -0.33, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 57246999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).