5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione

C12H12Br2N2O2 — CID 3083607

IUPAC5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(C(Br)C(Br)c2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C12H12Br2N2O2/c1-12(10(17)15-11(18)16-12)9(14)8(13)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H2,15,16,17,18)
InChIKeyOVMOGYOGBCHGHY-UHFFFAOYSA-N
MW376.05 g/mol
LogP2.48
Rot. Bonds3

About 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione

5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 3083607) has the molecular formula C12H12Br2N2O2 and a molecular weight of 376.05 g/mol. Its IUPAC name is 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione
PubChem CID3083607
Molecular FormulaC12H12Br2N2O2
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(C(Br)C(Br)c2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C12H12Br2N2O2/c1-12(10(17)15-11(18)16-12)9(14)8(13)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H2,15,16,17,18)
InChIKeyOVMOGYOGBCHGHY-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.05
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nirvanol
CID 91480
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 640021
5-Phenyl-5-propylimidazolidine-2,4-dione
CID 219572
(+)-Nirvanol
CID 6540813
5-Methyl-5-phenylhydantoin
CID 93043
5-(3-Bromophenyl)-5-methylimidazolidine-2,4-dione
CID 243332
5-Ethyl-5-phenylhydantoin, (-)-
CID 667433
Hydantoin, 5-(m-bromobenzyl)-3-methyl-
CID 53521
5-(4-Bromophenyl)-5-methylimidazolidine-2,4-dione
CID 233110
5,5-Dibenzylimidazolidine-2,4-dione
CID 234092
5-Butyl-5-phenylimidazolidine-2,4-dione
CID 3868221
3-Amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 4962270

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione (CID 3083607) is 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione is CC1(C(Br)C(Br)c2ccccc2)NC(=O)NC1=O.
What is the InChIKey of 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is OVMOGYOGBCHGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2/c1-12(10(17)15-11(18)16-12)9(14)8(13)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H2,15,16,17,18).
What are the key properties of 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione?
5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 376.05 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 3083607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).