(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione

C12H13BrN2O2 — CID 124672916

IUPAC(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2Br)NC(=O)NC1=O
InChIInChI=1S/C12H13BrN2O2/c1-12(10(16)14-11(17)15-12)7-6-8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H2,14,15,16,17)/t12-/m0/s1
InChIKeyPHGMPLPMYXXGEI-LBPRGKRZSA-N
MW297.15 g/mol
LogP1.98
Rot. Bonds3

About (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 124672916) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID124672916
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2Br)NC(=O)NC1=O
InChIInChI=1S/C12H13BrN2O2/c1-12(10(16)14-11(17)15-12)7-6-8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H2,14,15,16,17)/t12-/m0/s1
InChIKeyPHGMPLPMYXXGEI-LBPRGKRZSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-fluorophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 141409272
5-[(2-bromophenyl)sulfanylmethyl]-5-methylimidazolidine-2,4-dione
CID 167984164
5-[2-(4-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione;5-methyl-5-[2-[4-(2-phenylethynyl)phenyl]ethyl]imidazolidine-2,4-dione
CID 158732289
5-[2-(3-fluorophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 141409275
2-[(2-bromophenyl)methyl]-2-methyl-1H-indol-3-one
CID 172635518
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
1-[2-(2-bromophenyl)ethyl]-N-methylcyclopropan-1-amine
CID 83693333
2-[2-(2-bromophenyl)ethyl]-3-methylbutanal
CID 102391530
1-[(2-bromophenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64881928
5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one
CID 138389208
5-methyl-5-[(4-phenylanilino)methyl]imidazolidine-2,4-dione
CID 71066902
1-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64884573

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione (CID 124672916) is (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(CCc2ccccc2Br)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PHGMPLPMYXXGEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-12(10(16)14-11(17)15-12)7-6-8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H2,14,15,16,17)/t12-/m0/s1.
What are the key properties of (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 297.15 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 124672916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).