5-tert-butyl-2-ethyl-1-methylimidazole

C10H18N2 — CID 155701766

IUPAC5-tert-butyl-2-ethyl-1-methylimidazole
SMILESCCc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C10H18N2/c1-6-9-11-7-8(12(9)5)10(2,3)4/h7H,6H2,1-5H3
InChIKeyYFTQYSNADSQJNP-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.28
Rot. Bonds1

About 5-tert-butyl-2-ethyl-1-methylimidazole

5-tert-butyl-2-ethyl-1-methylimidazole (PubChem CID 155701766) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-methylimidazole.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-methylimidazole
PubChem CID155701766
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-tert-butyl-2-ethyl-1-methylimidazole
SMILESCCc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C10H18N2/c1-6-9-11-7-8(12(9)5)10(2,3)4/h7H,6H2,1-5H3
InChIKeyYFTQYSNADSQJNP-UHFFFAOYSA-N
XLogP2.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-ethyl-1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-methylimidazole?
The IUPAC name of 5-tert-butyl-2-ethyl-1-methylimidazole (CID 155701766) is 5-tert-butyl-2-ethyl-1-methylimidazole.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-methylimidazole?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-methylimidazole is CCc1ncc(C(C)(C)C)n1C.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-methylimidazole?
The InChIKey is YFTQYSNADSQJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-9-11-7-8(12(9)5)10(2,3)4/h7H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-methylimidazole?
5-tert-butyl-2-ethyl-1-methylimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-methylimidazole is sourced from PubChem (CID 155701766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).