2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate

C14H13Cl2F3N2O2 — CID 67798153

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate
SMILESCCOC(C)=O.FC(F)(F)c1cc(Cl)c(-c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C10H5Cl2F3N2.C4H8O2/c11-6-3-5(10(13,14)15)4-7(12)8(6)9-16-1-2-17-9;1-3-6-4(2)5/h1-4H,(H,16,17);3H2,1-2H3
InChIKeyDDEGQIUTYHWCFT-UHFFFAOYSA-N
MW369.17 g/mol
LogP4.97
Rot. Bonds2

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate (PubChem CID 67798153) has the molecular formula C14H13Cl2F3N2O2 and a molecular weight of 369.17 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate
PubChem CID67798153
Molecular FormulaC14H13Cl2F3N2O2
Molecular Weight369.17 g/mol
Exact Mass368.03
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate
SMILESCCOC(C)=O.FC(F)(F)c1cc(Cl)c(-c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C10H5Cl2F3N2.C4H8O2/c11-6-3-5(10(13,14)15)4-7(12)8(6)9-16-1-2-17-9;1-3-6-4(2)5/h1-4H,(H,16,17);3H2,1-2H3
InChIKeyDDEGQIUTYHWCFT-UHFFFAOYSA-N
XLogP4.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate (CID 67798153) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate is CCOC(C)=O.FC(F)(F)c1cc(Cl)c(-c2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate?
The InChIKey is DDEGQIUTYHWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2.C4H8O2/c11-6-3-5(10(13,14)15)4-7(12)8(6)9-16-1-2-17-9;1-3-6-4(2)5/h1-4H,(H,16,17);3H2,1-2H3.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate has a molecular weight of 369.17 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole;ethyl acetate is sourced from PubChem (CID 67798153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).