5-tert-butyl-2-(fluoromethyl)-1H-imidazole

C8H13FN2 — CID 166928493

IUPAC5-tert-butyl-2-(fluoromethyl)-1H-imidazole
SMILESCC(C)(C)c1cnc(CF)[nH]1
InChIInChI=1S/C8H13FN2/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4H2,1-3H3,(H,10,11)
InChIKeyOLVYWJUEHIJMHV-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.18
Rot. Bonds1

About 5-tert-butyl-2-(fluoromethyl)-1H-imidazole

5-tert-butyl-2-(fluoromethyl)-1H-imidazole (PubChem CID 166928493) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-tert-butyl-2-(fluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-(fluoromethyl)-1H-imidazole
PubChem CID166928493
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name5-tert-butyl-2-(fluoromethyl)-1H-imidazole
SMILESCC(C)(C)c1cnc(CF)[nH]1
InChIInChI=1S/C8H13FN2/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4H2,1-3H3,(H,10,11)
InChIKeyOLVYWJUEHIJMHV-UHFFFAOYSA-N
XLogP2.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(fluoromethyl)-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-(fluoromethyl)-1H-imidazole (CID 166928493) is 5-tert-butyl-2-(fluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-(fluoromethyl)-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-(fluoromethyl)-1H-imidazole is CC(C)(C)c1cnc(CF)[nH]1.
What is the InChIKey of 5-tert-butyl-2-(fluoromethyl)-1H-imidazole?
The InChIKey is OLVYWJUEHIJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 5-tert-butyl-2-(fluoromethyl)-1H-imidazole?
5-tert-butyl-2-(fluoromethyl)-1H-imidazole has a molecular weight of 156.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(fluoromethyl)-1H-imidazole is sourced from PubChem (CID 166928493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).