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

C8H13FN2 — CID 146376890

IUPAC4-tert-butyl-2-fluoro-5-methyl-1H-imidazole
SMILESCc1[nH]c(F)nc1C(C)(C)C
InChIInChI=1S/C8H13FN2/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H,10,11)
InChIKeyGWTDOSLATDDULN-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.15
Rot. Bonds

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

4-tert-butyl-2-fluoro-5-methyl-1H-imidazole (PubChem CID 146376890) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-5-methyl-1H-imidazole
PubChem CID146376890
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name4-tert-butyl-2-fluoro-5-methyl-1H-imidazole
SMILESCc1[nH]c(F)nc1C(C)(C)C
InChIInChI=1S/C8H13FN2/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H,10,11)
InChIKeyGWTDOSLATDDULN-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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Related Compounds

5-Ethyl-4-methyl-1H-imidazol-2-amine
CID 64981566
5-methyl-4-propan-2-yl-1H-imidazole
CID 207335
Diisopropyl imidazole
CID 12646374
5-Ethyl-2,4-dimethyl-1H-imidazole
CID 15724086
2,5-dimethyl-4-propan-2-yl-1H-imidazole
CID 15724089
2,4,5-Triethylimidazole
CID 19377935
2-(2-ethyl-5-methyl-1H-imidazol-4-yl)propanenitrile
CID 20447489
4,5-diethyl-1H-imidazol-2-amine
CID 105428060
4,5-ditert-butyl-1H-imidazol-2-amine
CID 139230318
4,5-di(propan-2-yl)-2-(trifluoromethyl)-1H-imidazole
CID 57973791
5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
CID 59148160
(4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid
CID 68585613

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole?
The IUPAC name of 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole (CID 146376890) is 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole.
What is the SMILES notation for 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole?
The canonical SMILES for 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole is Cc1[nH]c(F)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole?
The InChIKey is GWTDOSLATDDULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H,10,11).
What are the key properties of 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole?
4-tert-butyl-2-fluoro-5-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 4-tert-butyl-2-fluoro-5-methyl-1H-imidazole is sourced from PubChem (CID 146376890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).