1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole

C9H16N2O2 — CID 163393371

IUPAC1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
SMILESCOCCOCCn1cnc(C)c1
InChIInChI=1S/C9H16N2O2/c1-9-7-11(8-10-9)3-4-13-6-5-12-2/h7-8H,3-6H2,1-2H3
InChIKeyIBYJGBYWYDFRLG-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.85
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole

1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole (PubChem CID 163393371) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
PubChem CID163393371
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
SMILESCOCCOCCn1cnc(C)c1
InChIInChI=1S/C9H16N2O2/c1-9-7-11(8-10-9)3-4-13-6-5-12-2/h7-8H,3-6H2,1-2H3
InChIKeyIBYJGBYWYDFRLG-UHFFFAOYSA-N
XLogP0.85
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole (CID 163393371) is 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole is COCCOCCn1cnc(C)c1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole?
The InChIKey is IBYJGBYWYDFRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9-7-11(8-10-9)3-4-13-6-5-12-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole?
1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole has a molecular weight of 184.24 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole is sourced from PubChem (CID 163393371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).