4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole

C8H12ClFN2 — CID 146377938

IUPAC4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole
SMILESCn1c(F)nc(C(C)(C)C)c1Cl
InChIInChI=1S/C8H12ClFN2/c1-8(2,3)5-6(9)12(4)7(10)11-5/h1-4H3
InChIKeyHXAXKTIXAWEUAH-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.51
Rot. Bonds

About 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole

4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole (PubChem CID 146377938) has the molecular formula C8H12ClFN2 and a molecular weight of 190.65 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole
PubChem CID146377938
Molecular FormulaC8H12ClFN2
Molecular Weight190.65 g/mol
Exact Mass190.07
IUPAC Name4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole
SMILESCn1c(F)nc(C(C)(C)C)c1Cl
InChIInChI=1S/C8H12ClFN2/c1-8(2,3)5-6(9)12(4)7(10)11-5/h1-4H3
InChIKeyHXAXKTIXAWEUAH-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-Tert-butyl-2,4-difluoro-1-methylimidazole
CID 146377516
5-tert-butyl-4-chloro-2-fluoro-1H-imidazole
CID 146377696
5-Tert-butyl-4-fluoro-1-methylimidazole
CID 146377717
5-Tert-butyl-4-chloro-2-fluoro-1-methylimidazole
CID 146377732
5-Tert-butyl-2-fluoro-4-iodo-1-methylimidazole
CID 146377733
4-Chloro-2-fluoro-1-methyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377737
5-Chloro-2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146377943
4-Tert-butyl-2,5-difluoro-1-methylimidazole
CID 146378135
4-Chloro-2,5-diethylimidazole-1-carbonitrile
CID 14641987

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole?
The IUPAC name of 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole (CID 146377938) is 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole.
What is the SMILES notation for 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole?
The canonical SMILES for 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole is Cn1c(F)nc(C(C)(C)C)c1Cl.
What is the InChIKey of 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole?
The InChIKey is HXAXKTIXAWEUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClFN2/c1-8(2,3)5-6(9)12(4)7(10)11-5/h1-4H3.
What are the key properties of 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole?
4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole has a molecular weight of 190.65 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-2-fluoro-1-methylimidazole is sourced from PubChem (CID 146377938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).