5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole

C18H10Cl2F4N2 — CID 90959734

IUPAC5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole
SMILESFc1cc(C(F)(F)F)ccc1C=Cc1ncc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C18H10Cl2F4N2/c19-12-4-5-13(14(20)8-12)16-9-25-17(26-16)6-2-10-1-3-11(7-15(10)21)18(22,23)24/h1-9H,(H,25,26)
InChIKeyFHFOAUYVGGDACI-UHFFFAOYSA-N
MW401.19 g/mol
LogP6.71
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole

5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole (PubChem CID 90959734) has the molecular formula C18H10Cl2F4N2 and a molecular weight of 401.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole
PubChem CID90959734
Molecular FormulaC18H10Cl2F4N2
Molecular Weight401.19 g/mol
Exact Mass400.02
IUPAC Name5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole
SMILESFc1cc(C(F)(F)F)ccc1C=Cc1ncc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C18H10Cl2F4N2/c19-12-4-5-13(14(20)8-12)16-9-25-17(26-16)6-2-10-1-3-11(7-15(10)21)18(22,23)24/h1-9H,(H,25,26)
InChIKeyFHFOAUYVGGDACI-UHFFFAOYSA-N
XLogP6.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.19
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole (CID 90959734) is 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole is Fc1cc(C(F)(F)F)ccc1C=Cc1ncc(-c2ccc(Cl)cc2Cl)[nH]1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole?
The InChIKey is FHFOAUYVGGDACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F4N2/c19-12-4-5-13(14(20)8-12)16-9-25-17(26-16)6-2-10-1-3-11(7-15(10)21)18(22,23)24/h1-9H,(H,25,26).
What are the key properties of 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole?
5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole has a molecular weight of 401.19 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole is sourced from PubChem (CID 90959734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).