1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione

C25H23BrN2O4 — CID 60611151

IUPAC1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1CC(O)COc1ccc(Br)cc1
InChIInChI=1S/C25H23BrN2O4/c26-20-11-13-22(14-12-20)32-17-21(29)16-28-24(30)23(19-9-5-2-6-10-19)27(25(28)31)15-18-7-3-1-4-8-18/h1-14,21,23,29H,15-17H2
InChIKeyUYFIMRMLTXLRCP-UHFFFAOYSA-N
MW495.37 g/mol
LogP4.39
Rot. Bonds8

About 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione

1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 60611151) has the molecular formula C25H23BrN2O4 and a molecular weight of 495.37 g/mol. Its IUPAC name is 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione
PubChem CID60611151
Molecular FormulaC25H23BrN2O4
Molecular Weight495.37 g/mol
Exact Mass494.08
IUPAC Name1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1CC(O)COc1ccc(Br)cc1
InChIInChI=1S/C25H23BrN2O4/c26-20-11-13-22(14-12-20)32-17-21(29)16-28-24(30)23(19-9-5-2-6-10-19)27(25(28)31)15-18-7-3-1-4-8-18/h1-14,21,23,29H,15-17H2
InChIKeyUYFIMRMLTXLRCP-UHFFFAOYSA-N
XLogP4.39
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
CID 10359618
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
(3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione
CID 51513036
5-benzyl-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 17489169
benzyl-[3-(4-bromophenoxy)-2-hydroxypropyl]-phenylazanium
CID 3785546
(8aR)-2-[(2S)-2-hydroxy-3-phenoxypropyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 94796145
(8aR)-2-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 97262724
1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21236411
1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 112828513
1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-5-phenylimidazolidine-2,4-dione
CID 55733318
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 55622382

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione (CID 60611151) is 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione is O=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1CC(O)COc1ccc(Br)cc1.
What is the InChIKey of 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is UYFIMRMLTXLRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O4/c26-20-11-13-22(14-12-20)32-17-21(29)16-28-24(30)23(19-9-5-2-6-10-19)27(25(28)31)15-18-7-3-1-4-8-18/h1-14,21,23,29H,15-17H2.
What are the key properties of 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione?
1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 495.37 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 60611151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).