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

C25H19F5N2O3 — CID 15430932

IUPACethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1c(F)cccc1F
InChIInChI=1S/C25H19F5N2O3/c1-2-34-24(33)32-14-21(31-23(32)22-19(26)4-3-5-20(22)27)17-8-6-15(7-9-17)16-10-12-18(13-11-16)35-25(28,29)30/h3-13,21H,2,14H2,1H3
InChIKeyDRZUWCKKHUDXJF-UHFFFAOYSA-N
MW490.43 g/mol
LogP6.49
Rot. Bonds5

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

ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate (PubChem CID 15430932) has the molecular formula C25H19F5N2O3 and a molecular weight of 490.43 g/mol. Its IUPAC name is ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
PubChem CID15430932
Molecular FormulaC25H19F5N2O3
Molecular Weight490.43 g/mol
Exact Mass490.13
IUPAC Nameethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1c(F)cccc1F
InChIInChI=1S/C25H19F5N2O3/c1-2-34-24(33)32-14-21(31-23(32)22-19(26)4-3-5-20(22)27)17-8-6-15(7-9-17)16-10-12-18(13-11-16)35-25(28,29)30/h3-13,21H,2,14H2,1H3
InChIKeyDRZUWCKKHUDXJF-UHFFFAOYSA-N
XLogP6.49
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate (CID 15430932) is ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate is CCOC(=O)N1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1c(F)cccc1F.
What is the InChIKey of ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is DRZUWCKKHUDXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F5N2O3/c1-2-34-24(33)32-14-21(31-23(32)22-19(26)4-3-5-20(22)27)17-8-6-15(7-9-17)16-10-12-18(13-11-16)35-25(28,29)30/h3-13,21H,2,14H2,1H3.
What are the key properties of ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate?
ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 490.43 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 15430932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).