1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide

C11H20N2O2 — CID 139163516

IUPAC1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide
SMILESCOCCn1[c-][n+](CCOC)c(C)c1C
InChIInChI=1S/C11H20N2O2/c1-10-11(2)13(6-8-15-4)9-12(10)5-7-14-3/h5-8H2,1-4H3
InChIKeyHKBNKLAAVAQURK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.49
Rot. Bonds6

About 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide

1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide (PubChem CID 139163516) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide
PubChem CID139163516
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide
SMILESCOCCn1[c-][n+](CCOC)c(C)c1C
InChIInChI=1S/C11H20N2O2/c1-10-11(2)13(6-8-15-4)9-12(10)5-7-14-3/h5-8H2,1-4H3
InChIKeyHKBNKLAAVAQURK-UHFFFAOYSA-N
XLogP0.49
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide?
The IUPAC name of 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide (CID 139163516) is 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide is COCCn1[c-][n+](CCOC)c(C)c1C.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide?
The InChIKey is HKBNKLAAVAQURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10-11(2)13(6-8-15-4)9-12(10)5-7-14-3/h5-8H2,1-4H3.
What are the key properties of 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide?
1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide has a molecular weight of 212.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-1-ium-2-ide is sourced from PubChem (CID 139163516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).