1-tert-butyl-5-chloro-4-fluoroimidazole

C7H10ClFN2 — CID 146378005

IUPAC1-tert-butyl-5-chloro-4-fluoroimidazole
SMILESCC(C)(C)n1cnc(F)c1Cl
InChIInChI=1S/C7H10ClFN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3
InChIKeyGXTKLAQJJPYQRV-UHFFFAOYSA-N
MW176.62 g/mol
LogP2.43
Rot. Bonds

About 1-tert-butyl-5-chloro-4-fluoroimidazole

1-tert-butyl-5-chloro-4-fluoroimidazole (PubChem CID 146378005) has the molecular formula C7H10ClFN2 and a molecular weight of 176.62 g/mol. Its IUPAC name is 1-tert-butyl-5-chloro-4-fluoroimidazole.

Molecular Properties

Compound Name1-tert-butyl-5-chloro-4-fluoroimidazole
PubChem CID146378005
Molecular FormulaC7H10ClFN2
Molecular Weight176.62 g/mol
Exact Mass176.05
IUPAC Name1-tert-butyl-5-chloro-4-fluoroimidazole
SMILESCC(C)(C)n1cnc(F)c1Cl
InChIInChI=1S/C7H10ClFN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3
InChIKeyGXTKLAQJJPYQRV-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-chloro-4-fluoroimidazole?
The IUPAC name of 1-tert-butyl-5-chloro-4-fluoroimidazole (CID 146378005) is 1-tert-butyl-5-chloro-4-fluoroimidazole.
What is the SMILES notation for 1-tert-butyl-5-chloro-4-fluoroimidazole?
The canonical SMILES for 1-tert-butyl-5-chloro-4-fluoroimidazole is CC(C)(C)n1cnc(F)c1Cl.
What is the InChIKey of 1-tert-butyl-5-chloro-4-fluoroimidazole?
The InChIKey is GXTKLAQJJPYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3.
What are the key properties of 1-tert-butyl-5-chloro-4-fluoroimidazole?
1-tert-butyl-5-chloro-4-fluoroimidazole has a molecular weight of 176.62 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-chloro-4-fluoroimidazole is sourced from PubChem (CID 146378005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).