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

C21H19F7N2O2 — CID 10115747

IUPAC(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one
SMILESC[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(C)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H19F7N2O2/c1-12(13-7-15(20(23,24)25)9-16(8-13)21(26,27)28)32-11-19(10-30(2)18(31)29-19)14-3-5-17(22)6-4-14/h3-9,12H,10-11H2,1-2H3,(H,29,31)/t12-,19-/m1/s1
InChIKeyNHCPLSKEMYTBPE-CWTRNNRKSA-N
MW464.38 g/mol
LogP5.49
Rot. Bonds5

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

(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one (PubChem CID 10115747) has the molecular formula C21H19F7N2O2 and a molecular weight of 464.38 g/mol. Its IUPAC name is (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one
PubChem CID10115747
Molecular FormulaC21H19F7N2O2
Molecular Weight464.38 g/mol
Exact Mass464.13
IUPAC Name(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one
SMILESC[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(C)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H19F7N2O2/c1-12(13-7-15(20(23,24)25)9-16(8-13)21(26,27)28)32-11-19(10-30(2)18(31)29-19)14-3-5-17(22)6-4-14/h3-9,12H,10-11H2,1-2H3,(H,29,31)/t12-,19-/m1/s1
InChIKeyNHCPLSKEMYTBPE-CWTRNNRKSA-N
XLogP5.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.38
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)urea
CID 10128131
2-((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl)acetamide
CID 10164354
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)-1-(piperidin-4-yl)imidazolidin-2-one
CID 10231172
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)acetamide
CID 10288987
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 10296442
1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)imidazolidin-2-one
CID 10311496
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one
CID 22960738
1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)pyrrolidin-2-one
CID 52943331
N-((3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)acetamide
CID 52943450
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-methyl-4-phenylimidazolidin-2-one
CID 44407938
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-ethyl-4-(4-fluorophenyl)imidazolidin-2-one
CID 44408107
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 44444629

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one?
The IUPAC name of (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one (CID 10115747) is (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one.
What is the SMILES notation for (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one?
The canonical SMILES for (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one is C[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(C)C(=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)-1-methylimidazolidin-2-one?
The InChIKey is NHCPLSKEMYTBPE-CWTRNNRKSA-N. The full InChI is InChI=1S/C21H19F7N2O2/c1-12(13-7-15(20(23,24)25)9-16(8-13)21(26,27)28)32-11-19(10-30(2)18(31)29-19)14-3-5-17(22)6-4-14/h3-9,12H,10-11H2,1-2H3,(H,29,31)/t12-,19-/m1/s1.
What are the key properties of (4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one?
(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-1-methylimidazolidin-2-one has a molecular weight of 464.38 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 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)-1-methylimidazolidin-2-one is sourced from PubChem (CID 10115747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).