5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione

C20H21BrClN3O3 — CID 42998311

IUPAC5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione
SMILESCN(CCOc1ccc(Cl)cc1)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C20H21BrClN3O3/c1-20(14-4-3-5-15(21)12-14)18(26)25(19(27)23-20)13-24(2)10-11-28-17-8-6-16(22)7-9-17/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)
InChIKeyGCFFJWSDZALCDN-UHFFFAOYSA-N
MW466.76 g/mol
LogP3.84
Rot. Bonds7

About 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione

5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 42998311) has the molecular formula C20H21BrClN3O3 and a molecular weight of 466.76 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID42998311
Molecular FormulaC20H21BrClN3O3
Molecular Weight466.76 g/mol
Exact Mass465.05
IUPAC Name5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione
SMILESCN(CCOc1ccc(Cl)cc1)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C20H21BrClN3O3/c1-20(14-4-3-5-15(21)12-14)18(26)25(19(27)23-20)13-24(2)10-11-28-17-8-6-16(22)7-9-17/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)
InChIKeyGCFFJWSDZALCDN-UHFFFAOYSA-N
XLogP3.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.76
LogP ≤ 53.84
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

3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2575624
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9460374
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24520498
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55372996
3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918836
(5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
CID 51556398

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione (CID 42998311) is 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione is CN(CCOc1ccc(Cl)cc1)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O.
What is the InChIKey of 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GCFFJWSDZALCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrClN3O3/c1-20(14-4-3-5-15(21)12-14)18(26)25(19(27)23-20)13-24(2)10-11-28-17-8-6-16(22)7-9-17/h3-9,12H,10-11,13H2,1-2H3,(H,23,27).
What are the key properties of 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione?
5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 466.76 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42998311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).