(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

C13H14BrFN2O3 — CID 95333198

IUPAC(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(Cc2cc(F)ccc2Br)C1=O
InChIInChI=1S/C13H14BrFN2O3/c1-13(7-20-2)11(18)17(12(19)16-13)6-8-5-9(15)3-4-10(8)14/h3-5H,6-7H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyPZHGSDHBOUZHTD-ZDUSSCGKSA-N
MW345.17 g/mol
LogP2.05
Rot. Bonds4

About (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 95333198) has the molecular formula C13H14BrFN2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
PubChem CID95333198
Molecular FormulaC13H14BrFN2O3
Molecular Weight345.17 g/mol
Exact Mass344.02
IUPAC Name(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(Cc2cc(F)ccc2Br)C1=O
InChIInChI=1S/C13H14BrFN2O3/c1-13(7-20-2)11(18)17(12(19)16-13)6-8-5-9(15)3-4-10(8)14/h3-5H,6-7H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyPZHGSDHBOUZHTD-ZDUSSCGKSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95158297
3-[(2-bromo-5-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62850737
3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 64765381
2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94819428
(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95247869
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95166190
3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 146076170
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95307087
5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
5-(methoxymethyl)-5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 146084367

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (CID 95333198) is (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is COC[C@]1(C)NC(=O)N(Cc2cc(F)ccc2Br)C1=O.
What is the InChIKey of (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PZHGSDHBOUZHTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14BrFN2O3/c1-13(7-20-2)11(18)17(12(19)16-13)6-8-5-9(15)3-4-10(8)14/h3-5H,6-7H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 345.17 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95333198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).