(4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one

C10H9F3N2O3 — CID 171252592

IUPAC(4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one
SMILESO=C1NC[C@@H](c2cc(OC(F)(F)F)ccc2O)N1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)18-5-1-2-8(16)6(3-5)7-4-14-9(17)15-7/h1-3,7,16H,4H2,(H2,14,15,17)/t7-/m0/s1
InChIKeyARCRZIKKXPNPMJ-ZETCQYMHSA-N
MW262.19 g/mol
LogP1.64
Rot. Bonds2

About (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one

(4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one (PubChem CID 171252592) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one
PubChem CID171252592
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name(4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one
SMILESO=C1NC[C@@H](c2cc(OC(F)(F)F)ccc2O)N1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)18-5-1-2-8(16)6(3-5)7-4-14-9(17)15-7/h1-3,7,16H,4H2,(H2,14,15,17)/t7-/m0/s1
InChIKeyARCRZIKKXPNPMJ-ZETCQYMHSA-N
XLogP1.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
(4R)-5,5-difluoro-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171188466
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
(4R)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidin-2-one
CID 171252567
(4S)-4-(4-methoxy-2-methylphenyl)imidazolidin-2-one
CID 171252808
(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
CID 171252821
(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252545
(4S)-4-(2,4,5-trifluorophenyl)imidazolidin-2-one
CID 171252769
(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171184750
2-[[(1S,2S)-2-[[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethoxy)phenol
CID 177457494
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
(4S)-4-(3-ethoxy-4-hydroxyphenyl)imidazolidin-2-one
CID 131349347

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one (CID 171252592) is (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one is O=C1NC[C@@H](c2cc(OC(F)(F)F)ccc2O)N1.
What is the InChIKey of (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The InChIKey is ARCRZIKKXPNPMJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)18-5-1-2-8(16)6(3-5)7-4-14-9(17)15-7/h1-3,7,16H,4H2,(H2,14,15,17)/t7-/m0/s1.
What are the key properties of (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one?
(4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one has a molecular weight of 262.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one is sourced from PubChem (CID 171252592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).