2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole

C21H14F8N4 — CID 162059449

IUPAC2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole
SMILESCn1ccnc1-c1ccc(C(F)(F)F)cc1F.Fc1cc(C(F)(F)F)ccc1-c1ncc[nH]1
InChIInChI=1S/C11H8F4N2.C10H6F4N2/c1-17-5-4-16-10(17)8-3-2-7(6-9(8)12)11(13,14)15;11-8-5-6(10(12,13)14)1-2-7(8)9-15-3-4-16-9/h2-6H,1H3;1-5H,(H,15,16)
InChIKeyYZQBKMFNPCRXNA-UHFFFAOYSA-N
MW474.36 g/mol
LogP6.48
Rot. Bonds2

About 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole

2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole (PubChem CID 162059449) has the molecular formula C21H14F8N4 and a molecular weight of 474.36 g/mol. Its IUPAC name is 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole
PubChem CID162059449
Molecular FormulaC21H14F8N4
Molecular Weight474.36 g/mol
Exact Mass474.11
IUPAC Name2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole
SMILESCn1ccnc1-c1ccc(C(F)(F)F)cc1F.Fc1cc(C(F)(F)F)ccc1-c1ncc[nH]1
InChIInChI=1S/C11H8F4N2.C10H6F4N2/c1-17-5-4-16-10(17)8-3-2-7(6-9(8)12)11(13,14)15;11-8-5-6(10(12,13)14)1-2-7(8)9-15-3-4-16-9/h2-6H,1H3;1-5H,(H,15,16)
InChIKeyYZQBKMFNPCRXNA-UHFFFAOYSA-N
XLogP6.48
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane
CID 163566910
2-(1H-imidazol-2-yl)-6-(1-methylimidazol-2-yl)pyridine
CID 70653614
2-(2-bromo-4-fluorophenyl)-1-methylimidazole
CID 141359044
2-(3-fluoro-2-methylphenyl)-1H-imidazole
CID 55254600
2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine
CID 118164419
N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754769
2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole
CID 67982099
2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole
CID 70028778
2-methyl-1-[2-methyl-3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium
CID 152979416
(2S)-4-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129329507
3-(1H-imidazol-2-yl)-2-methylpyridine
CID 59198842
2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 170925615

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole?
The IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole (CID 162059449) is 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole?
The canonical SMILES for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole is Cn1ccnc1-c1ccc(C(F)(F)F)cc1F.Fc1cc(C(F)(F)F)ccc1-c1ncc[nH]1.
What is the InChIKey of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole?
The InChIKey is YZQBKMFNPCRXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2.C10H6F4N2/c1-17-5-4-16-10(17)8-3-2-7(6-9(8)12)11(13,14)15;11-8-5-6(10(12,13)14)1-2-7(8)9-15-3-4-16-9/h2-6H,1H3;1-5H,(H,15,16).
What are the key properties of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole?
2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole has a molecular weight of 474.36 g/mol, XLogP of 6.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole is sourced from PubChem (CID 162059449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).