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

C24H24ClN3O3 — CID 51872992

IUPAC(5R)-5-(4-chlorophenyl)-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)N[C@](C)(c3ccc(Cl)cc3)C2=O)C(C)(C)c2ccccc21
InChIInChI=1S/C24H24ClN3O3/c1-23(2)18-7-5-6-8-19(18)27(4)20(23)13-17(29)14-28-21(30)24(3,26-22(28)31)15-9-11-16(25)12-10-15/h5-13H,14H2,1-4H3,(H,26,31)/b20-13-/t24-/m1/s1
InChIKeyGIJVFVOBIYBLKD-VGTKIRILSA-N
MW437.93 g/mol
LogP3.99
Rot. Bonds4

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

(5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione (PubChem CID 51872992) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
PubChem CID51872992
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name(5R)-5-(4-chlorophenyl)-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)N[C@](C)(c3ccc(Cl)cc3)C2=O)C(C)(C)c2ccccc21
InChIInChI=1S/C24H24ClN3O3/c1-23(2)18-7-5-6-8-19(18)27(4)20(23)13-17(29)14-28-21(30)24(3,26-22(28)31)15-9-11-16(25)12-10-15/h5-13H,14H2,1-4H3,(H,26,31)/b20-13-/t24-/m1/s1
InChIKeyGIJVFVOBIYBLKD-VGTKIRILSA-N
XLogP3.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.99
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

5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
CID 46817883
4-[4-methyl-2,5-dioxo-1-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidin-4-yl]benzonitrile
CID 46818021
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
(3aS,7aS)-2-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98410855
(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2337442
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 2705880
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 2097186
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 40745114
5-(4-chlorophenyl)-5-methyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 17445039
3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]quinazolin-4-one
CID 7774831
3,3-dimethyl-4-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperazin-2-one
CID 56542596

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione (CID 51872992) is (5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-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)N[C@](C)(c3ccc(Cl)cc3)C2=O)C(C)(C)c2ccccc21.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
The InChIKey is GIJVFVOBIYBLKD-VGTKIRILSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-23(2)18-7-5-6-8-19(18)27(4)20(23)13-17(29)14-28-21(30)24(3,26-22(28)31)15-9-11-16(25)12-10-15/h5-13H,14H2,1-4H3,(H,26,31)/b20-13-/t24-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione?
(5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione has a molecular weight of 437.93 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51872992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).