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

C8H12ClFN2 — CID 146377732

IUPAC5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole
SMILESCn1c(F)nc(Cl)c1C(C)(C)C
InChIInChI=1S/C8H12ClFN2/c1-8(2,3)5-6(9)11-7(10)12(5)4/h1-4H3
InChIKeyOPHAIANLUWIRLZ-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.51
Rot. Bonds

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

5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole (PubChem CID 146377732) has the molecular formula C8H12ClFN2 and a molecular weight of 190.65 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole.

Molecular Properties

Compound Name5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole
PubChem CID146377732
Molecular FormulaC8H12ClFN2
Molecular Weight190.65 g/mol
Exact Mass190.07
IUPAC Name5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole
SMILESCn1c(F)nc(Cl)c1C(C)(C)C
InChIInChI=1S/C8H12ClFN2/c1-8(2,3)5-6(9)11-7(10)12(5)4/h1-4H3
InChIKeyOPHAIANLUWIRLZ-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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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole?
The IUPAC name of 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole (CID 146377732) is 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole.
What is the SMILES notation for 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole?
The canonical SMILES for 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole is Cn1c(F)nc(Cl)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole?
The InChIKey is OPHAIANLUWIRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClFN2/c1-8(2,3)5-6(9)11-7(10)12(5)4/h1-4H3.
What are the key properties of 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole?
5-tert-butyl-4-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 5-tert-butyl-4-chloro-2-fluoro-1-methylimidazole is sourced from PubChem (CID 146377732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).