5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole

C9H15FN2O — CID 146377514

IUPAC5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole
SMILESCOc1nc(F)n(C)c1C(C)(C)C
InChIInChI=1S/C9H15FN2O/c1-9(2,3)6-7(13-5)11-8(10)12(6)4/h1-5H3
InChIKeyGNUGYMAEFXJQIS-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.87
Rot. Bonds1

About 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole

5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole (PubChem CID 146377514) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole
PubChem CID146377514
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole
SMILESCOc1nc(F)n(C)c1C(C)(C)C
InChIInChI=1S/C9H15FN2O/c1-9(2,3)6-7(13-5)11-8(10)12(6)4/h1-5H3
InChIKeyGNUGYMAEFXJQIS-UHFFFAOYSA-N
XLogP1.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-4-methoxy-1-methyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377513
5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole
CID 146377916
4-Tert-butyl-2-fluoro-5-methoxy-1-methylimidazole
CID 146377936
2-Fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146377939
2-Fluoro-5-methoxy-1-methyl-4-propan-2-ylimidazole
CID 164168932
4-Tert-butyl-5-methoxy-1-methylimidazole
CID 68176418
1-Chloro-2,4-dimethoxy-5-propan-2-ylimidazole
CID 143620870
5-tert-butyl-4-methoxy-1H-imidazole
CID 146377693
5-Tert-butyl-4-methoxy-1-methylimidazole
CID 146377933
5-Tert-butyl-4-methoxy-1,2-dimethylimidazole
CID 146377955
5-Tert-butyl-4-(2-methoxyethoxy)-1-methylimidazole
CID 155787961
5-Ethyl-4-methoxy-1-methylimidazole
CID 163562849

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole?
The IUPAC name of 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole (CID 146377514) is 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole.
What is the SMILES notation for 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole?
The canonical SMILES for 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole is COc1nc(F)n(C)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole?
The InChIKey is GNUGYMAEFXJQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-9(2,3)6-7(13-5)11-8(10)12(6)4/h1-5H3.
What are the key properties of 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole?
5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole has a molecular weight of 186.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-fluoro-4-methoxy-1-methylimidazole is sourced from PubChem (CID 146377514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).