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

C8H13FN2O — CID 146377916

IUPAC5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole
SMILESCOc1nc(F)[nH]c1C(C)(C)C
InChIInChI=1S/C8H13FN2O/c1-8(2,3)5-6(12-4)11-7(9)10-5/h1-4H3,(H,10,11)
InChIKeyXLYUIWNDFOFKNM-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.85
Rot. Bonds1

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

5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole (PubChem CID 146377916) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole
PubChem CID146377916
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole
SMILESCOc1nc(F)[nH]c1C(C)(C)C
InChIInChI=1S/C8H13FN2O/c1-8(2,3)5-6(12-4)11-7(9)10-5/h1-4H3,(H,10,11)
InChIKeyXLYUIWNDFOFKNM-UHFFFAOYSA-N
XLogP1.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole (CID 146377916) is 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole is COc1nc(F)[nH]c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole?
The InChIKey is XLYUIWNDFOFKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-8(2,3)5-6(12-4)11-7(9)10-5/h1-4H3,(H,10,11).
What are the key properties of 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole?
5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole has a molecular weight of 172.20 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-fluoro-4-methoxy-1H-imidazole is sourced from PubChem (CID 146377916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).