(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C18H21Cl2N3O3 — CID 7264423

IUPAC(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H21Cl2N3O3/c1-11-5-3-4-8-22(11)15(24)10-23-16(25)18(2,21-17(23)26)13-7-6-12(19)9-14(13)20/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,21,26)/t11-,18+/m1/s1
InChIKeyOEGAHXBJQRBBQM-ZMZPIMSZSA-N
MW398.29 g/mol
LogP3.16
Rot. Bonds3

About (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 7264423) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID7264423
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC Name(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H21Cl2N3O3/c1-11-5-3-4-8-22(11)15(24)10-23-16(25)18(2,21-17(23)26)13-7-6-12(19)9-14(13)20/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,21,26)/t11-,18+/m1/s1
InChIKeyOEGAHXBJQRBBQM-ZMZPIMSZSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.16
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-(2,4-dichlorophenyl)-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2703074
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2577171
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2703018
3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4804699
(5R)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2453229
(5R)-5-(3-bromophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2701973
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288588
5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 112805073
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704475
N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41139200
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46583141

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 7264423) is (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is OEGAHXBJQRBBQM-ZMZPIMSZSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3/c1-11-5-3-4-8-22(11)15(24)10-23-16(25)18(2,21-17(23)26)13-7-6-12(19)9-14(13)20/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,21,26)/t11-,18+/m1/s1.
What are the key properties of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 398.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7264423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).