(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one

C9H9ClN2O2 — CID 130889049

IUPAC(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2cc(Cl)ccc2O)N1
InChIInChI=1S/C9H9ClN2O2/c10-5-1-2-8(13)6(3-5)7-4-11-9(14)12-7/h1-3,7,13H,4H2,(H2,11,12,14)/t7-/m0/s1
InChIKeyOUANYMSVKCVRRF-ZETCQYMHSA-N
MW212.64 g/mol
LogP1.40
Rot. Bonds1

About (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one

(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one (PubChem CID 130889049) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one
PubChem CID130889049
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2cc(Cl)ccc2O)N1
InChIInChI=1S/C9H9ClN2O2/c10-5-1-2-8(13)6(3-5)7-4-11-9(14)12-7/h1-3,7,13H,4H2,(H2,11,12,14)/t7-/m0/s1
InChIKeyOUANYMSVKCVRRF-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one?
The IUPAC name of (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one (CID 130889049) is (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one is O=C1NC[C@@H](c2cc(Cl)ccc2O)N1.
What is the InChIKey of (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one?
The InChIKey is OUANYMSVKCVRRF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-5-1-2-8(13)6(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-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one?
(4R)-4-(5-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 (4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 130889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).