5-tert-butyl-2-fluoro-1,4-dimethylimidazole

C9H15FN2 — CID 146377519

IUPAC5-tert-butyl-2-fluoro-1,4-dimethylimidazole
SMILESCc1nc(F)n(C)c1C(C)(C)C
InChIInChI=1S/C9H15FN2/c1-6-7(9(2,3)4)12(5)8(10)11-6/h1-5H3
InChIKeyOHLNDTDYYCTYCP-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.17
Rot. Bonds

About 5-tert-butyl-2-fluoro-1,4-dimethylimidazole

5-tert-butyl-2-fluoro-1,4-dimethylimidazole (PubChem CID 146377519) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-1,4-dimethylimidazole.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-1,4-dimethylimidazole
PubChem CID146377519
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name5-tert-butyl-2-fluoro-1,4-dimethylimidazole
SMILESCc1nc(F)n(C)c1C(C)(C)C
InChIInChI=1S/C9H15FN2/c1-6-7(9(2,3)4)12(5)8(10)11-6/h1-5H3
InChIKeyOHLNDTDYYCTYCP-UHFFFAOYSA-N
XLogP2.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-Butyl-4-(propan-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 14735431
5-Ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole
CID 59746130
1-(2-Fluoroethyl)-4,5-di(propan-2-yl)imidazole
CID 117879864
5-Ethyl-1-methyl-4-(trifluoromethyl)imidazole
CID 117972839
1,5-Dimethyl-4-(2,2,2-trifluoroethyl)imidazole
CID 143656402
2-Methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole
CID 146185981
5-Tert-butyl-4-fluoro-1,2-dimethylimidazole
CID 146376815
4-Tert-butyl-2-fluoro-5-iodo-1-methylimidazole
CID 146376866
4-Tert-butyl-5-fluoro-1-methylimidazole
CID 146376877
4-tert-butyl-2-fluoro-5-methyl-1H-imidazole
CID 146376890
5-Tert-butyl-2,4-difluoro-1-methylimidazole
CID 146377516
2-Fluoro-1,4-dimethyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377520

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-1,4-dimethylimidazole?
The IUPAC name of 5-tert-butyl-2-fluoro-1,4-dimethylimidazole (CID 146377519) is 5-tert-butyl-2-fluoro-1,4-dimethylimidazole.
What is the SMILES notation for 5-tert-butyl-2-fluoro-1,4-dimethylimidazole?
The canonical SMILES for 5-tert-butyl-2-fluoro-1,4-dimethylimidazole is Cc1nc(F)n(C)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-fluoro-1,4-dimethylimidazole?
The InChIKey is OHLNDTDYYCTYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-6-7(9(2,3)4)12(5)8(10)11-6/h1-5H3.
What are the key properties of 5-tert-butyl-2-fluoro-1,4-dimethylimidazole?
5-tert-butyl-2-fluoro-1,4-dimethylimidazole has a molecular weight of 170.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-fluoro-1,4-dimethylimidazole is sourced from PubChem (CID 146377519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).