(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one

C9H9ClN2O2 — CID 131078848

IUPAC(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(Cl)c2O)N1
InChIInChI=1S/C9H9ClN2O2/c10-6-3-1-2-5(8(6)13)7-4-11-9(14)12-7/h1-3,7,13H,4H2,(H2,11,12,14)/t7-/m1/s1
InChIKeyUJWYOXMKDOGDFC-SSDOTTSWSA-N
MW212.64 g/mol
LogP1.40
Rot. Bonds1

About (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one

(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one (PubChem CID 131078848) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
PubChem CID131078848
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(Cl)c2O)N1
InChIInChI=1S/C9H9ClN2O2/c10-6-3-1-2-5(8(6)13)7-4-11-9(14)12-7/h1-3,7,13H,4H2,(H2,11,12,14)/t7-/m1/s1
InChIKeyUJWYOXMKDOGDFC-SSDOTTSWSA-N
XLogP1.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.40
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
(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
CID 131302642
(4S)-4-(2-chloro-6-methylphenyl)imidazolidin-2-one
CID 131150939
4-(2-chloro-6-fluorophenyl)imidazolidin-2-one
CID 130148791
(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 130889049
(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one
CID 130707431
(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one
CID 130619455
(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one
CID 130613636
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one (CID 131078848) is (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one is O=C1NC[C@H](c2cccc(Cl)c2O)N1.
What is the InChIKey of (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one?
The InChIKey is UJWYOXMKDOGDFC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-6-3-1-2-5(8(6)13)7-4-11-9(14)12-7/h1-3,7,13H,4H2,(H2,11,12,14)/t7-/m1/s1.
What are the key properties of (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one?
(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one has a molecular weight of 212.64 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 131078848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).