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

C9H15FN2 — CID 146376815

IUPAC5-tert-butyl-4-fluoro-1,2-dimethylimidazole
SMILESCc1nc(F)c(C(C)(C)C)n1C
InChIInChI=1S/C9H15FN2/c1-6-11-8(10)7(12(6)5)9(2,3)4/h1-5H3
InChIKeyISNVUBCYFPRIOR-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.17
Rot. Bonds

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

5-tert-butyl-4-fluoro-1,2-dimethylimidazole (PubChem CID 146376815) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-1,2-dimethylimidazole.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-1,2-dimethylimidazole
PubChem CID146376815
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name5-tert-butyl-4-fluoro-1,2-dimethylimidazole
SMILESCc1nc(F)c(C(C)(C)C)n1C
InChIInChI=1S/C9H15FN2/c1-6-11-8(10)7(12(6)5)9(2,3)4/h1-5H3
InChIKeyISNVUBCYFPRIOR-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

1,2,3,4,5-Pentamethylimidazol-1-ium
CID 11032788
4-Fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole
CID 22891110
5-Fluoro-1-(5-methylhexyl)-4-propan-2-ylimidazole
CID 22891131
5-Tert-butyl-1-(2-fluoroethyl)imidazole
CID 59336418
4-Tert-butyl-1-methyl-2-(trifluoromethyl)imidazole
CID 146363127
4-Fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole
CID 146376816
4-Tert-butyl-2-fluoro-5-iodo-1-methylimidazole
CID 146376866
4-Tert-butyl-5-fluoro-1-methylimidazole
CID 146376877
5-tert-butyl-4-fluoro-2-methyl-1H-imidazole
CID 146377503
5-Tert-butyl-2,4-difluoro-1-methylimidazole
CID 146377516
5-Tert-butyl-2-fluoro-1,4-dimethylimidazole
CID 146377519
5-Tert-butyl-4-fluoro-1-methylimidazole
CID 146377717

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-fluoro-1,2-dimethylimidazole?
The IUPAC name of 5-tert-butyl-4-fluoro-1,2-dimethylimidazole (CID 146376815) is 5-tert-butyl-4-fluoro-1,2-dimethylimidazole.
What is the SMILES notation for 5-tert-butyl-4-fluoro-1,2-dimethylimidazole?
The canonical SMILES for 5-tert-butyl-4-fluoro-1,2-dimethylimidazole is Cc1nc(F)c(C(C)(C)C)n1C.
What is the InChIKey of 5-tert-butyl-4-fluoro-1,2-dimethylimidazole?
The InChIKey is ISNVUBCYFPRIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-6-11-8(10)7(12(6)5)9(2,3)4/h1-5H3.
What are the key properties of 5-tert-butyl-4-fluoro-1,2-dimethylimidazole?
5-tert-butyl-4-fluoro-1,2-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-4-fluoro-1,2-dimethylimidazole is sourced from PubChem (CID 146376815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).