2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole

C8H8F6N2 — CID 15889467

IUPAC2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole
SMILESCC(C)c1nc(C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C8H8F6N2/c1-3(2)6-15-4(7(9,10)11)5(16-6)8(12,13)14/h3H,1-2H3,(H,15,16)
InChIKeyMLJHOACOFKPQGK-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.57
Rot. Bonds1

About 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole

2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole (PubChem CID 15889467) has the molecular formula C8H8F6N2 and a molecular weight of 246.15 g/mol. Its IUPAC name is 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole
PubChem CID15889467
Molecular FormulaC8H8F6N2
Molecular Weight246.15 g/mol
Exact Mass246.06
IUPAC Name2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole
SMILESCC(C)c1nc(C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C8H8F6N2/c1-3(2)6-15-4(7(9,10)11)5(16-6)8(12,13)14/h3H,1-2H3,(H,15,16)
InChIKeyMLJHOACOFKPQGK-UHFFFAOYSA-N
XLogP3.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole (CID 15889467) is 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole is CC(C)c1nc(C(F)(F)F)c(C(F)(F)F)[nH]1.
What is the InChIKey of 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole?
The InChIKey is MLJHOACOFKPQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2/c1-3(2)6-15-4(7(9,10)11)5(16-6)8(12,13)14/h3H,1-2H3,(H,15,16).
What are the key properties of 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole?
2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole has a molecular weight of 246.15 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5-bis(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 15889467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).