3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C17H17BrN2O5 — CID 18097416

IUPAC3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccco2)NC(=O)N(CC(O)COc2cccc(Br)c2)C1=O
InChIInChI=1S/C17H17BrN2O5/c1-17(14-6-3-7-24-14)15(22)20(16(23)19-17)9-12(21)10-25-13-5-2-4-11(18)8-13/h2-8,12,21H,9-10H2,1H3,(H,19,23)
InChIKeyADMYDCZGQVFJKY-UHFFFAOYSA-N
MW409.24 g/mol
LogP2.25
Rot. Bonds6

About 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 18097416) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID18097416
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC Name3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccco2)NC(=O)N(CC(O)COc2cccc(Br)c2)C1=O
InChIInChI=1S/C17H17BrN2O5/c1-17(14-6-3-7-24-14)15(22)20(16(23)19-17)9-12(21)10-25-13-5-2-4-11(18)8-13/h2-8,12,21H,9-10H2,1H3,(H,19,23)
InChIKeyADMYDCZGQVFJKY-UHFFFAOYSA-N
XLogP2.25
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 94180443
(5R)-3-[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31566247
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47021034
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385595
(5S)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385593
5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18087052
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 18097416) is 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is CC1(c2ccco2)NC(=O)N(CC(O)COc2cccc(Br)c2)C1=O.
What is the InChIKey of 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ADMYDCZGQVFJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-17(14-6-3-7-24-14)15(22)20(16(23)19-17)9-12(21)10-25-13-5-2-4-11(18)8-13/h2-8,12,21H,9-10H2,1H3,(H,19,23).
What are the key properties of 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 409.24 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18097416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).