5-tert-butyl-4-fluoro-1H-imidazole

C7H11FN2 — CID 146376813

IUPAC5-tert-butyl-4-fluoro-1H-imidazole
SMILESCC(C)(C)c1[nH]cnc1F
InChIInChI=1S/C7H11FN2/c1-7(2,3)5-6(8)10-4-9-5/h4H,1-3H3,(H,9,10)
InChIKeySKCCTTWDMVVQTE-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.85
Rot. Bonds

About 5-tert-butyl-4-fluoro-1H-imidazole

5-tert-butyl-4-fluoro-1H-imidazole (PubChem CID 146376813) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-1H-imidazole
PubChem CID146376813
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name5-tert-butyl-4-fluoro-1H-imidazole
SMILESCC(C)(C)c1[nH]cnc1F
InChIInChI=1S/C7H11FN2/c1-7(2,3)5-6(8)10-4-9-5/h4H,1-3H3,(H,9,10)
InChIKeySKCCTTWDMVVQTE-UHFFFAOYSA-N
XLogP1.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-fluoro-1H-imidazole?
The IUPAC name of 5-tert-butyl-4-fluoro-1H-imidazole (CID 146376813) is 5-tert-butyl-4-fluoro-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-4-fluoro-1H-imidazole?
The canonical SMILES for 5-tert-butyl-4-fluoro-1H-imidazole is CC(C)(C)c1[nH]cnc1F.
What is the InChIKey of 5-tert-butyl-4-fluoro-1H-imidazole?
The InChIKey is SKCCTTWDMVVQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-7(2,3)5-6(8)10-4-9-5/h4H,1-3H3,(H,9,10).
What are the key properties of 5-tert-butyl-4-fluoro-1H-imidazole?
5-tert-butyl-4-fluoro-1H-imidazole has a molecular weight of 142.18 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-fluoro-1H-imidazole is sourced from PubChem (CID 146376813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).