(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C17H18BrN3O2S — CID 9172206

IUPAC(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCN(Cc1ccc(Br)s1)CN1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C17H18BrN3O2S/c1-17(12-6-4-3-5-7-12)15(22)21(16(23)19-17)11-20(2)10-13-8-9-14(18)24-13/h3-9H,10-11H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeyUKTYJEVICNTMJT-QGZVFWFLSA-N
MW408.32 g/mol
LogP3.37
Rot. Bonds5

About (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 9172206) has the molecular formula C17H18BrN3O2S and a molecular weight of 408.32 g/mol. Its IUPAC name is (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID9172206
Molecular FormulaC17H18BrN3O2S
Molecular Weight408.32 g/mol
Exact Mass407.03
IUPAC Name(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCN(Cc1ccc(Br)s1)CN1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C17H18BrN3O2S/c1-17(12-6-4-3-5-7-12)15(22)21(16(23)19-17)11-20(2)10-13-8-9-14(18)24-13/h3-9H,10-11H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeyUKTYJEVICNTMJT-QGZVFWFLSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-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-[[benzyl(methyl)amino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4215276
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24562007
3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18190420
N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
CID 9323282
N-cyclopropyl-2-[methyl-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]acetamide
CID 9286078
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24562010
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
(5R)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
CID 31939405
(5R)-3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9284628
(5S)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9318878
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 78621928

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 9172206) is (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is CN(Cc1ccc(Br)s1)CN1C(=O)N[C@](C)(c2ccccc2)C1=O.
What is the InChIKey of (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is UKTYJEVICNTMJT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18BrN3O2S/c1-17(12-6-4-3-5-7-12)15(22)21(16(23)19-17)11-20(2)10-13-8-9-14(18)24-13/h3-9H,10-11H2,1-2H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 408.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9172206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).