5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole

C22H15F5N2 — CID 10294504

IUPAC5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole
SMILESFc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(C(F)(F)F)c3)N2)cc1
InChIInChI=1S/C22H15F5N2/c23-18-8-4-15(5-9-18)21(16-6-10-19(24)11-7-16)13-28-20(29-21)14-2-1-3-17(12-14)22(25,26)27/h1-12H,13H2,(H,28,29)
InChIKeyLGNMZDDYTDVTCQ-UHFFFAOYSA-N
MW402.37 g/mol
LogP5.28
Rot. Bonds3

About 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole

5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole (PubChem CID 10294504) has the molecular formula C22H15F5N2 and a molecular weight of 402.37 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole
PubChem CID10294504
Molecular FormulaC22H15F5N2
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole
SMILESFc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(C(F)(F)F)c3)N2)cc1
InChIInChI=1S/C22H15F5N2/c23-18-8-4-15(5-9-18)21(16-6-10-19(24)11-7-16)13-28-20(29-21)14-2-1-3-17(12-14)22(25,26)27/h1-12H,13H2,(H,28,29)
InChIKeyLGNMZDDYTDVTCQ-UHFFFAOYSA-N
XLogP5.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole (CID 10294504) is 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole is Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(C(F)(F)F)c3)N2)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole?
The InChIKey is LGNMZDDYTDVTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2/c23-18-8-4-15(5-9-18)21(16-6-10-19(24)11-7-16)13-28-20(29-21)14-2-1-3-17(12-14)22(25,26)27/h1-12H,13H2,(H,28,29).
What are the key properties of 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole?
5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole has a molecular weight of 402.37 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroimidazole is sourced from PubChem (CID 10294504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).