3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C12H13ClN2O2 — CID 30551380

IUPAC3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-12(2)10(16)15(11(17)14-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,14,17)
InChIKeyRUXJEJUWCWZDAR-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.17
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 30551380) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID30551380
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-12(2)10(16)15(11(17)14-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,14,17)
InChIKeyRUXJEJUWCWZDAR-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429756
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846
(5R)-5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2479691
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3330388
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
CID 135974496

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 30551380) is 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is RUXJEJUWCWZDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-12(2)10(16)15(11(17)14-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,14,17).
What are the key properties of 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 252.70 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 30551380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).