2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole

C12H8F6N2 — CID 87928901

IUPAC2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESCc1cc(-c2ncc(C(F)(F)F)[nH]2)ccc1C(F)(F)F
InChIInChI=1S/C12H8F6N2/c1-6-4-7(2-3-8(6)11(13,14)15)10-19-5-9(20-10)12(16,17)18/h2-5H,1H3,(H,19,20)
InChIKeyDWLZBBCXSRBCPS-UHFFFAOYSA-N
MW294.20 g/mol
LogP4.42
Rot. Bonds1

About 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole

2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 87928901) has the molecular formula C12H8F6N2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID87928901
Molecular FormulaC12H8F6N2
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Name2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESCc1cc(-c2ncc(C(F)(F)F)[nH]2)ccc1C(F)(F)F
InChIInChI=1S/C12H8F6N2/c1-6-4-7(2-3-8(6)11(13,14)15)10-19-5-9(20-10)12(16,17)18/h2-5H,1H3,(H,19,20)
InChIKeyDWLZBBCXSRBCPS-UHFFFAOYSA-N
XLogP4.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole (CID 87928901) is 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole is Cc1cc(-c2ncc(C(F)(F)F)[nH]2)ccc1C(F)(F)F.
What is the InChIKey of 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is DWLZBBCXSRBCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2/c1-6-4-7(2-3-8(6)11(13,14)15)10-19-5-9(20-10)12(16,17)18/h2-5H,1H3,(H,19,20).
What are the key properties of 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole?
2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 294.20 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 87928901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).