5-tert-butyl-4-fluoro-2-methyl-1H-imidazole

C8H13FN2 — CID 146377503

IUPAC5-tert-butyl-4-fluoro-2-methyl-1H-imidazole
SMILESCc1nc(F)c(C(C)(C)C)[nH]1
InChIInChI=1S/C8H13FN2/c1-5-10-6(7(9)11-5)8(2,3)4/h1-4H3,(H,10,11)
InChIKeyPMIFMODMRHQXQM-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.15
Rot. Bonds

About 5-tert-butyl-4-fluoro-2-methyl-1H-imidazole

5-tert-butyl-4-fluoro-2-methyl-1H-imidazole (PubChem CID 146377503) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-2-methyl-1H-imidazole
PubChem CID146377503
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name5-tert-butyl-4-fluoro-2-methyl-1H-imidazole
SMILESCc1nc(F)c(C(C)(C)C)[nH]1
InChIInChI=1S/C8H13FN2/c1-5-10-6(7(9)11-5)8(2,3)4/h1-4H3,(H,10,11)
InChIKeyPMIFMODMRHQXQM-UHFFFAOYSA-N
XLogP2.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.15
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-2-methyl-1H-imidazole?
The IUPAC name of 5-tert-butyl-4-fluoro-2-methyl-1H-imidazole (CID 146377503) is 5-tert-butyl-4-fluoro-2-methyl-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-4-fluoro-2-methyl-1H-imidazole?
The canonical SMILES for 5-tert-butyl-4-fluoro-2-methyl-1H-imidazole is Cc1nc(F)c(C(C)(C)C)[nH]1.
What is the InChIKey of 5-tert-butyl-4-fluoro-2-methyl-1H-imidazole?
The InChIKey is PMIFMODMRHQXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-5-10-6(7(9)11-5)8(2,3)4/h1-4H3,(H,10,11).
What are the key properties of 5-tert-butyl-4-fluoro-2-methyl-1H-imidazole?
5-tert-butyl-4-fluoro-2-methyl-1H-imidazole has a molecular weight of 156.20 g/mol, XLogP of 2.15, 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-2-methyl-1H-imidazole is sourced from PubChem (CID 146377503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).