2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole

C12H8ClF3N2 — CID 66771330

IUPAC2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole
SMILESC=C(c1ncc[nH]1)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C12H8ClF3N2/c1-7(11-17-5-6-18-11)8-3-2-4-9(10(8)13)12(14,15)16/h2-6H,1H2,(H,17,18)
InChIKeyVJZSFRSIYWYLBJ-UHFFFAOYSA-N
MW272.66 g/mol
LogP4.14
Rot. Bonds2

About 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole

2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole (PubChem CID 66771330) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole
PubChem CID66771330
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC Name2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole
SMILESC=C(c1ncc[nH]1)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C12H8ClF3N2/c1-7(11-17-5-6-18-11)8-3-2-4-9(10(8)13)12(14,15)16/h2-6H,1H2,(H,17,18)
InChIKeyVJZSFRSIYWYLBJ-UHFFFAOYSA-N
XLogP4.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole?
The IUPAC name of 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole (CID 66771330) is 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole.
What is the SMILES notation for 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole?
The canonical SMILES for 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole is C=C(c1ncc[nH]1)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole?
The InChIKey is VJZSFRSIYWYLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c1-7(11-17-5-6-18-11)8-3-2-4-9(10(8)13)12(14,15)16/h2-6H,1H2,(H,17,18).
What are the key properties of 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole?
2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole has a molecular weight of 272.66 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole is sourced from PubChem (CID 66771330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).