5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole

C11H20N2O2 — CID 155787961

IUPAC5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole
SMILESCOCCOc1ncn(C)c1C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-11(2,3)9-10(12-8-13(9)4)15-7-6-14-5/h8H,6-7H2,1-5H3
InChIKeyAGGMIIKEXJCBBN-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.74
Rot. Bonds4

About 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole

5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole (PubChem CID 155787961) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole.

Molecular Properties

Compound Name5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole
PubChem CID155787961
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole
SMILESCOCCOc1ncn(C)c1C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-11(2,3)9-10(12-8-13(9)4)15-7-6-14-5/h8H,6-7H2,1-5H3
InChIKeyAGGMIIKEXJCBBN-UHFFFAOYSA-N
XLogP1.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.74
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 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole?
The IUPAC name of 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole (CID 155787961) is 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole.
What is the SMILES notation for 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole?
The canonical SMILES for 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole is COCCOc1ncn(C)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole?
The InChIKey is AGGMIIKEXJCBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)9-10(12-8-13(9)4)15-7-6-14-5/h8H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole?
5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole has a molecular weight of 212.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole is sourced from PubChem (CID 155787961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).