4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one

C19H16F6N2O2 — CID 10180275

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one
SMILESO=C1NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1
InChIInChI=1S/C19H16F6N2O2/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-29-11-17(10-26-16(28)27-17)13-4-2-1-3-5-13/h1-8H,9-11H2,(H2,26,27,28)
InChIKeyPKXHFVKACNEDII-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.45
Rot. Bonds5

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one (PubChem CID 10180275) has the molecular formula C19H16F6N2O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one
PubChem CID10180275
Molecular FormulaC19H16F6N2O2
Molecular Weight418.34 g/mol
Exact Mass418.11
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one
SMILESO=C1NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1
InChIInChI=1S/C19H16F6N2O2/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-29-11-17(10-26-16(28)27-17)13-4-2-1-3-5-13/h1-8H,9-11H2,(H2,26,27,28)
InChIKeyPKXHFVKACNEDII-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one (CID 10180275) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one is O=C1NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one?
The InChIKey is PKXHFVKACNEDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O2/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-29-11-17(10-26-16(28)27-17)13-4-2-1-3-5-13/h1-8H,9-11H2,(H2,26,27,28).
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one has a molecular weight of 418.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 10180275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).