(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one

C9H9BrN2O2 — CID 130619455

IUPAC(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(Br)cc2O)N1
InChIInChI=1S/C9H9BrN2O2/c10-5-1-2-6(8(13)3-5)7-4-11-9(14)12-7/h1-3,7,13H,4H2,(H2,11,12,14)/t7-/m0/s1
InChIKeyQNSVCLPHDOOPMR-ZETCQYMHSA-N
MW257.09 g/mol
LogP1.51
Rot. Bonds1

About (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one

(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one (PubChem CID 130619455) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one
PubChem CID130619455
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(Br)cc2O)N1
InChIInChI=1S/C9H9BrN2O2/c10-5-1-2-6(8(13)3-5)7-4-11-9(14)12-7/h1-3,7,13H,4H2,(H2,11,12,14)/t7-/m0/s1
InChIKeyQNSVCLPHDOOPMR-ZETCQYMHSA-N
XLogP1.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one
CID 131484948
(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185028
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 130889049
(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one
CID 130613636
(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one
CID 130707431
(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796
(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one
CID 171252621
(4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 171252592
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
CID 131302642
(4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
CID 131128261

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one?
The IUPAC name of (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one (CID 130619455) is (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one is O=C1NC[C@@H](c2ccc(Br)cc2O)N1.
What is the InChIKey of (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one?
The InChIKey is QNSVCLPHDOOPMR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c10-5-1-2-6(8(13)3-5)7-4-11-9(14)12-7/h1-3,7,13H,4H2,(H2,11,12,14)/t7-/m0/s1.
What are the key properties of (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one?
(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one has a molecular weight of 257.09 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 130619455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).