(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione

C17H15BrN2O2 — CID 7178046

IUPAC(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H15BrN2O2/c1-17(13-8-5-9-14(18)10-13)15(21)20(16(22)19-17)11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyIAQOBISXZVTBJT-KRWDZBQOSA-N
MW359.22 g/mol
LogP3.42
Rot. Bonds3

About (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 7178046) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID7178046
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H15BrN2O2/c1-17(13-8-5-9-14(18)10-13)15(21)20(16(22)19-17)11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyIAQOBISXZVTBJT-KRWDZBQOSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7178072
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 2710989
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CID 47092850
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
2-[3-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
CID 43028357
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 52514080

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione (CID 7178046) is (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is IAQOBISXZVTBJT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-17(13-8-5-9-14(18)10-13)15(21)20(16(22)19-17)11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 359.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7178046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).