(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one

C20H17F7N2O2 — CID 10204249

IUPAC(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one
SMILESC[C@@H](OC[C@@]1(c2ccc(F)cc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H17F7N2O2/c1-11(12-6-14(19(22,23)24)8-15(7-12)20(25,26)27)31-10-18(9-28-17(30)29-18)13-2-4-16(21)5-3-13/h2-8,11H,9-10H2,1H3,(H2,28,29,30)/t11-,18-/m1/s1
InChIKeyFXOAHCXJKCBQBU-ADLMAVQZSA-N
MW450.35 g/mol
LogP5.15
Rot. Bonds5

About (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one

(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one (PubChem CID 10204249) has the molecular formula C20H17F7N2O2 and a molecular weight of 450.35 g/mol. Its IUPAC name is (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one
PubChem CID10204249
Molecular FormulaC20H17F7N2O2
Molecular Weight450.35 g/mol
Exact Mass450.12
IUPAC Name(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one
SMILESC[C@@H](OC[C@@]1(c2ccc(F)cc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H17F7N2O2/c1-11(12-6-14(19(22,23)24)8-15(7-12)20(25,26)27)31-10-18(9-28-17(30)29-18)13-2-4-16(21)5-3-13/h2-8,11H,9-10H2,1H3,(H2,28,29,30)/t11-,18-/m1/s1
InChIKeyFXOAHCXJKCBQBU-ADLMAVQZSA-N
XLogP5.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.35
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one?
The IUPAC name of (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one (CID 10204249) is (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one is C[C@@H](OC[C@@]1(c2ccc(F)cc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one?
The InChIKey is FXOAHCXJKCBQBU-ADLMAVQZSA-N. The full InChI is InChI=1S/C20H17F7N2O2/c1-11(12-6-14(19(22,23)24)8-15(7-12)20(25,26)27)31-10-18(9-28-17(30)29-18)13-2-4-16(21)5-3-13/h2-8,11H,9-10H2,1H3,(H2,28,29,30)/t11-,18-/m1/s1.
What are the key properties of (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one?
(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one has a molecular weight of 450.35 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 10204249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).