5-tert-butyl-4-chloro-2-fluoro-1H-imidazole

C7H10ClFN2 — CID 146377696

IUPAC5-tert-butyl-4-chloro-2-fluoro-1H-imidazole
SMILESCC(C)(C)c1[nH]c(F)nc1Cl
InChIInChI=1S/C7H10ClFN2/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H,10,11)
InChIKeyRUGOLLIQGFIMMR-UHFFFAOYSA-N
MW176.62 g/mol
LogP2.50
Rot. Bonds

About 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole

5-tert-butyl-4-chloro-2-fluoro-1H-imidazole (PubChem CID 146377696) has the molecular formula C7H10ClFN2 and a molecular weight of 176.62 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-4-chloro-2-fluoro-1H-imidazole
PubChem CID146377696
Molecular FormulaC7H10ClFN2
Molecular Weight176.62 g/mol
Exact Mass176.05
IUPAC Name5-tert-butyl-4-chloro-2-fluoro-1H-imidazole
SMILESCC(C)(C)c1[nH]c(F)nc1Cl
InChIInChI=1S/C7H10ClFN2/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H,10,11)
InChIKeyRUGOLLIQGFIMMR-UHFFFAOYSA-N
XLogP2.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole?
The IUPAC name of 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole (CID 146377696) is 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole?
The canonical SMILES for 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole is CC(C)(C)c1[nH]c(F)nc1Cl.
What is the InChIKey of 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole?
The InChIKey is RUGOLLIQGFIMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H,10,11).
What are the key properties of 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole?
5-tert-butyl-4-chloro-2-fluoro-1H-imidazole has a molecular weight of 176.62 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-chloro-2-fluoro-1H-imidazole is sourced from PubChem (CID 146377696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).