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

C9H15FN2 — CID 146377885

IUPAC4-tert-butyl-2-fluoro-1,5-dimethylimidazole
SMILESCc1c(C(C)(C)C)nc(F)n1C
InChIInChI=1S/C9H15FN2/c1-6-7(9(2,3)4)11-8(10)12(6)5/h1-5H3
InChIKeyIQTUDEZWZLZTBU-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.17
Rot. Bonds

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

4-tert-butyl-2-fluoro-1,5-dimethylimidazole (PubChem CID 146377885) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-1,5-dimethylimidazole.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-1,5-dimethylimidazole
PubChem CID146377885
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name4-tert-butyl-2-fluoro-1,5-dimethylimidazole
SMILESCc1c(C(C)(C)C)nc(F)n1C
InChIInChI=1S/C9H15FN2/c1-6-7(9(2,3)4)11-8(10)12(6)5/h1-5H3
InChIKeyIQTUDEZWZLZTBU-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
5-Tert-butyl-2-fluoro-1,4-dimethylimidazole
CID 146377519

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-1,5-dimethylimidazole?
The IUPAC name of 4-tert-butyl-2-fluoro-1,5-dimethylimidazole (CID 146377885) is 4-tert-butyl-2-fluoro-1,5-dimethylimidazole.
What is the SMILES notation for 4-tert-butyl-2-fluoro-1,5-dimethylimidazole?
The canonical SMILES for 4-tert-butyl-2-fluoro-1,5-dimethylimidazole is Cc1c(C(C)(C)C)nc(F)n1C.
What is the InChIKey of 4-tert-butyl-2-fluoro-1,5-dimethylimidazole?
The InChIKey is IQTUDEZWZLZTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-6-7(9(2,3)4)11-8(10)12(6)5/h1-5H3.
What are the key properties of 4-tert-butyl-2-fluoro-1,5-dimethylimidazole?
4-tert-butyl-2-fluoro-1,5-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 4-tert-butyl-2-fluoro-1,5-dimethylimidazole is sourced from PubChem (CID 146377885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).