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

C9H15FN2O — CID 146377936

IUPAC4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole
SMILESCOc1c(C(C)(C)C)nc(F)n1C
InChIInChI=1S/C9H15FN2O/c1-9(2,3)6-7(13-5)12(4)8(10)11-6/h1-5H3
InChIKeyASFWFJQXNBNZSV-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.87
Rot. Bonds1

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

4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole (PubChem CID 146377936) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole
PubChem CID146377936
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole
SMILESCOc1c(C(C)(C)C)nc(F)n1C
InChIInChI=1S/C9H15FN2O/c1-9(2,3)6-7(13-5)12(4)8(10)11-6/h1-5H3
InChIKeyASFWFJQXNBNZSV-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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole?
The IUPAC name of 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole (CID 146377936) is 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole.
What is the SMILES notation for 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole?
The canonical SMILES for 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole is COc1c(C(C)(C)C)nc(F)n1C.
What is the InChIKey of 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole?
The InChIKey is ASFWFJQXNBNZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-9(2,3)6-7(13-5)12(4)8(10)11-6/h1-5H3.
What are the key properties of 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole?
4-tert-butyl-2-fluoro-5-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 4-tert-butyl-2-fluoro-5-methoxy-1-methylimidazole is sourced from PubChem (CID 146377936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).