(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione

C17H21BrN2O2 — CID 7043083

IUPAC(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(C2CCCCC2)NC(=O)N(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H21BrN2O2/c1-17(13-5-3-2-4-6-13)15(21)20(16(22)19-17)11-12-7-9-14(18)10-8-12/h7-10,13H,2-6,11H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyRWJQTGOYPQOKGB-KRWDZBQOSA-N
MW365.27 g/mol
LogP3.84
Rot. Bonds3

About (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione

(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione (PubChem CID 7043083) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
PubChem CID7043083
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(C2CCCCC2)NC(=O)N(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H21BrN2O2/c1-17(13-5-3-2-4-6-13)15(21)20(16(22)19-17)11-12-7-9-14(18)10-8-12/h7-10,13H,2-6,11H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyRWJQTGOYPQOKGB-KRWDZBQOSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 78878457
3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7618742
5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 78827283
(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 41411892
(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
CID 99781725
3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
CID 17486200
(5S)-5-cyclohexyl-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
CID 7618939
(5S)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282965
(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282962
3-ethyl-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 75422495
(5R)-5-cyclohexyl-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7618695
(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 7619041

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione (CID 7043083) is (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione is C[C@@]1(C2CCCCC2)NC(=O)N(Cc2ccc(Br)cc2)C1=O.
What is the InChIKey of (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione?
The InChIKey is RWJQTGOYPQOKGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-17(13-5-3-2-4-6-13)15(21)20(16(22)19-17)11-12-7-9-14(18)10-8-12/h7-10,13H,2-6,11H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione?
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione has a molecular weight of 365.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7043083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).