5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione

C24H23Cl2N3O3 — CID 46817883

IUPAC5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
SMILESCN1/C(=C\C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)C(C)(C)c2ccccc21
InChIInChI=1S/C24H23Cl2N3O3/c1-23(2)17-7-5-6-8-19(17)28(4)20(23)12-15(30)13-29-21(31)24(3,27-22(29)32)16-10-9-14(25)11-18(16)26/h5-12H,13H2,1-4H3,(H,27,32)/b20-12-
InChIKeyUXGAOHIIXWVYBA-NDENLUEZSA-N
MW472.37 g/mol
LogP4.64
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione

5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione (PubChem CID 46817883) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
PubChem CID46817883
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
SMILESCN1/C(=C\C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)C(C)(C)c2ccccc21
InChIInChI=1S/C24H23Cl2N3O3/c1-23(2)17-7-5-6-8-19(17)28(4)20(23)12-15(30)13-29-21(31)24(3,27-22(29)32)16-10-9-14(25)11-18(16)26/h5-12H,13H2,1-4H3,(H,27,32)/b20-12-
InChIKeyUXGAOHIIXWVYBA-NDENLUEZSA-N
XLogP4.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
CID 51872992
5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
CID 60617451
4-[4-methyl-2,5-dioxo-1-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidin-4-yl]benzonitrile
CID 46818021
(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2337442
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 2112150
N-benzyl-2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703019
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2,4-dichlorophenoxy)acetate
CID 3377126
3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4804699
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2703018
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704475
(5R)-5-(2,4-dichlorophenyl)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7626269

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione (CID 46817883) is 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione is CN1/C(=C\C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)C(C)(C)c2ccccc21.
What is the InChIKey of 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The InChIKey is UXGAOHIIXWVYBA-NDENLUEZSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-23(2)17-7-5-6-8-19(17)28(4)20(23)12-15(30)13-29-21(31)24(3,27-22(29)32)16-10-9-14(25)11-18(16)26/h5-12H,13H2,1-4H3,(H,27,32)/b20-12-.
What are the key properties of 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione has a molecular weight of 472.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46817883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).