2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole

C22H15F5N2O — CID 22612693

IUPAC2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(F)c1C1=NCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1
InChIInChI=1S/C22H15F5N2O/c23-17-2-1-3-18(24)20(17)21-28-12-19(29-21)15-6-4-13(5-7-15)14-8-10-16(11-9-14)30-22(25,26)27/h1-11,19H,12H2,(H,28,29)
InChIKeyPOIAHKRKSCIGFR-UHFFFAOYSA-N
MW418.37 g/mol
LogP5.62
Rot. Bonds4

About 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole

2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 22612693) has the molecular formula C22H15F5N2O and a molecular weight of 418.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID22612693
Molecular FormulaC22H15F5N2O
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC Name2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(F)c1C1=NCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1
InChIInChI=1S/C22H15F5N2O/c23-17-2-1-3-18(24)20(17)21-28-12-19(29-21)15-6-4-13(5-7-15)14-8-10-16(11-9-14)30-22(25,26)27/h1-11,19H,12H2,(H,28,29)
InChIKeyPOIAHKRKSCIGFR-UHFFFAOYSA-N
XLogP5.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole (CID 22612693) is 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole is Fc1cccc(F)c1C1=NCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is POIAHKRKSCIGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2O/c23-17-2-1-3-18(24)20(17)21-28-12-19(29-21)15-6-4-13(5-7-15)14-8-10-16(11-9-14)30-22(25,26)27/h1-11,19H,12H2,(H,28,29).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole?
2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 418.37 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 22612693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).