(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione

C18H22BrN3O3 — CID 7916791

IUPAC(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione
SMILESC[C@@H](C(=O)N1CCCCC1)N1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C18H22BrN3O3/c1-12(15(23)21-9-4-3-5-10-21)22-16(24)18(2,20-17(22)25)13-7-6-8-14(19)11-13/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,25)/t12-,18-/m0/s1
InChIKeyUHOORBDHSGSWQD-SGTLLEGYSA-N
MW408.30 g/mol
LogP2.62
Rot. Bonds3

About (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione

(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione (PubChem CID 7916791) has the molecular formula C18H22BrN3O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione
PubChem CID7916791
Molecular FormulaC18H22BrN3O3
Molecular Weight408.30 g/mol
Exact Mass407.08
IUPAC Name(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione
SMILESC[C@@H](C(=O)N1CCCCC1)N1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C18H22BrN3O3/c1-12(15(23)21-9-4-3-5-10-21)22-16(24)18(2,20-17(22)25)13-7-6-8-14(19)11-13/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,25)/t12-,18-/m0/s1
InChIKeyUHOORBDHSGSWQD-SGTLLEGYSA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.62
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

(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 41143774
3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
(5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178060
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2461066
(5R)-5-(3-bromophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702011
(5S)-5-(3-bromophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702012
(5R)-5-(3-bromophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2701973
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 2081705
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 41100880

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione (CID 7916791) is (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione is C[C@@H](C(=O)N1CCCCC1)N1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O.
What is the InChIKey of (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione?
The InChIKey is UHOORBDHSGSWQD-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H22BrN3O3/c1-12(15(23)21-9-4-3-5-10-21)22-16(24)18(2,20-17(22)25)13-7-6-8-14(19)11-13/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,25)/t12-,18-/m0/s1.
What are the key properties of (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione?
(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione has a molecular weight of 408.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 7916791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).