1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole

C9H18N2O2 — CID 86025015

IUPAC1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole
SMILESCOCCOCCN1C=CN(C)C1
InChIInChI=1S/C9H18N2O2/c1-10-3-4-11(9-10)5-6-13-8-7-12-2/h3-4H,5-9H2,1-2H3
InChIKeyYWXBXJZTEKRLFL-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.33
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole

1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole (PubChem CID 86025015) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole
PubChem CID86025015
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole
SMILESCOCCOCCN1C=CN(C)C1
InChIInChI=1S/C9H18N2O2/c1-10-3-4-11(9-10)5-6-13-8-7-12-2/h3-4H,5-9H2,1-2H3
InChIKeyYWXBXJZTEKRLFL-UHFFFAOYSA-N
XLogP0.33
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.33
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]-3-methyl-2H-imidazole?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole (CID 86025015) is 1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole is COCCOCCN1C=CN(C)C1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole?
The InChIKey is YWXBXJZTEKRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-3-4-11(9-10)5-6-13-8-7-12-2/h3-4H,5-9H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole?
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole has a molecular weight of 186.25 g/mol, XLogP of 0.33, 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]-3-methyl-2H-imidazole is sourced from PubChem (CID 86025015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).