2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole

C11H19FN2 — CID 167461569

IUPAC2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole
SMILESCCC(C)(F)c1nccn1CC(C)C
InChIInChI=1S/C11H19FN2/c1-5-11(4,12)10-13-6-7-14(10)8-9(2)3/h6-7,9H,5,8H2,1-4H3
InChIKeyTZLHWRJLIPCFII-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.13
Rot. Bonds4

About 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole

2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole (PubChem CID 167461569) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole.

Molecular Properties

Compound Name2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole
PubChem CID167461569
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole
SMILESCCC(C)(F)c1nccn1CC(C)C
InChIInChI=1S/C11H19FN2/c1-5-11(4,12)10-13-6-7-14(10)8-9(2)3/h6-7,9H,5,8H2,1-4H3
InChIKeyTZLHWRJLIPCFII-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole?
The IUPAC name of 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole (CID 167461569) is 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole.
What is the SMILES notation for 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole?
The canonical SMILES for 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole is CCC(C)(F)c1nccn1CC(C)C.
What is the InChIKey of 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole?
The InChIKey is TZLHWRJLIPCFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-5-11(4,12)10-13-6-7-14(10)8-9(2)3/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole?
2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole has a molecular weight of 198.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole is sourced from PubChem (CID 167461569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).