4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one

C11H14N2O2 — CID 105458761

IUPAC4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one
SMILESCN1CC(C)(c2ccccc2O)NC1=O
InChIInChI=1S/C11H14N2O2/c1-11(7-13(2)10(15)12-11)8-5-3-4-6-9(8)14/h3-6,14H,7H2,1-2H3,(H,12,15)
InChIKeyDDBIHRKSIRSQRY-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.26
Rot. Bonds1

About 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one

4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one (PubChem CID 105458761) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one
PubChem CID105458761
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one
SMILESCN1CC(C)(c2ccccc2O)NC1=O
InChIInChI=1S/C11H14N2O2/c1-11(7-13(2)10(15)12-11)8-5-3-4-6-9(8)14/h3-6,14H,7H2,1-2H3,(H,12,15)
InChIKeyDDBIHRKSIRSQRY-UHFFFAOYSA-N
XLogP1.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
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 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one?
The IUPAC name of 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one (CID 105458761) is 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one is CN1CC(C)(c2ccccc2O)NC1=O.
What is the InChIKey of 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one?
The InChIKey is DDBIHRKSIRSQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(7-13(2)10(15)12-11)8-5-3-4-6-9(8)14/h3-6,14H,7H2,1-2H3,(H,12,15).
What are the key properties of 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one?
4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 105458761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).