2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole

C25H21F5N2O2 — CID 22612686

IUPAC2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole
SMILESCCOCN1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1c(F)cccc1F
InChIInChI=1S/C25H21F5N2O2/c1-2-33-15-32-14-22(31-24(32)23-20(26)4-3-5-21(23)27)18-8-6-16(7-9-18)17-10-12-19(13-11-17)34-25(28,29)30/h3-13,22H,2,14-15H2,1H3
InChIKeyPJJUNAXZTZOECQ-UHFFFAOYSA-N
MW476.45 g/mol
LogP6.33
Rot. Bonds7

About 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole

2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole (PubChem CID 22612686) has the molecular formula C25H21F5N2O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole
PubChem CID22612686
Molecular FormulaC25H21F5N2O2
Molecular Weight476.45 g/mol
Exact Mass476.15
IUPAC Name2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole
SMILESCCOCN1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1c(F)cccc1F
InChIInChI=1S/C25H21F5N2O2/c1-2-33-15-32-14-22(31-24(32)23-20(26)4-3-5-21(23)27)18-8-6-16(7-9-18)17-10-12-19(13-11-17)34-25(28,29)30/h3-13,22H,2,14-15H2,1H3
InChIKeyPJJUNAXZTZOECQ-UHFFFAOYSA-N
XLogP6.33
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole (CID 22612686) is 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole is CCOCN1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole?
The InChIKey is PJJUNAXZTZOECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N2O2/c1-2-33-15-32-14-22(31-24(32)23-20(26)4-3-5-21(23)27)18-8-6-16(7-9-18)17-10-12-19(13-11-17)34-25(28,29)30/h3-13,22H,2,14-15H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole?
2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole has a molecular weight of 476.45 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(ethoxymethyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole is sourced from PubChem (CID 22612686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).