4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one

C10H12N2O3 — CID 24973439

IUPAC4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one
SMILESCN1CC(c2ccc(O)c(O)c2)NC1=O
InChIInChI=1S/C10H12N2O3/c1-12-5-7(11-10(12)15)6-2-3-8(13)9(14)4-6/h2-4,7,13-14H,5H2,1H3,(H,11,15)
InChIKeyRGRHOBLQCZIPER-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.79
Rot. Bonds1

About 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one

4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one (PubChem CID 24973439) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one
PubChem CID24973439
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one
SMILESCN1CC(c2ccc(O)c(O)c2)NC1=O
InChIInChI=1S/C10H12N2O3/c1-12-5-7(11-10(12)15)6-2-3-8(13)9(14)4-6/h2-4,7,13-14H,5H2,1H3,(H,11,15)
InChIKeyRGRHOBLQCZIPER-UHFFFAOYSA-N
XLogP0.79
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
CID 116980815
1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 90179114
1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one
CID 116980895
ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 143177122
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
CID 116980876
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
1-methyl-4-(4-phenoxyphenyl)imidazolidin-2-one
CID 116980839
4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one
CID 116980818
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
4-[(3R)-1-methylpiperidin-3-yl]benzene-1,2-diol
CID 92966347
methyl 6-(3,4-dihydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2830429

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one?
The IUPAC name of 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one (CID 24973439) is 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one?
The canonical SMILES for 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one is CN1CC(c2ccc(O)c(O)c2)NC1=O.
What is the InChIKey of 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one?
The InChIKey is RGRHOBLQCZIPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-5-7(11-10(12)15)6-2-3-8(13)9(14)4-6/h2-4,7,13-14H,5H2,1H3,(H,11,15).
What are the key properties of 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one?
4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 24973439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).