1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone

C24H17F5N2O2 — CID 22612687

IUPAC1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1C(c2c(F)cccc2F)=NCC1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H17F5N2O2/c1-14(32)31-21(13-30-23(31)22-19(25)3-2-4-20(22)26)17-7-5-15(6-8-17)16-9-11-18(12-10-16)33-24(27,28)29/h2-12,21H,13H2,1H3
InChIKeyQFNKFTGCACZCMY-UHFFFAOYSA-N
MW460.40 g/mol
LogP5.88
Rot. Bonds4

About 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone

1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 22612687) has the molecular formula C24H17F5N2O2 and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID22612687
Molecular FormulaC24H17F5N2O2
Molecular Weight460.40 g/mol
Exact Mass460.12
IUPAC Name1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1C(c2c(F)cccc2F)=NCC1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H17F5N2O2/c1-14(32)31-21(13-30-23(31)22-19(25)3-2-4-20(22)26)17-7-5-15(6-8-17)16-9-11-18(12-10-16)33-24(27,28)29/h2-12,21H,13H2,1H3
InChIKeyQFNKFTGCACZCMY-UHFFFAOYSA-N
XLogP5.88
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone (CID 22612687) is 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone is CC(=O)N1C(c2c(F)cccc2F)=NCC1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is QFNKFTGCACZCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N2O2/c1-14(32)31-21(13-30-23(31)22-19(25)3-2-4-20(22)26)17-7-5-15(6-8-17)16-9-11-18(12-10-16)33-24(27,28)29/h2-12,21H,13H2,1H3.
What are the key properties of 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone?
1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 460.40 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 22612687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).