1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

C21H17Cl2N3O3 — CID 73309261

IUPAC1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESCN1C(=O)N(C)C2(C1=O)C(=O)N(CC=Cc1ccc(Cl)c(Cl)c1)c1ccccc12
InChIInChI=1S/C21H17Cl2N3O3/c1-24-18(27)21(25(2)20(24)29)14-7-3-4-8-17(14)26(19(21)28)11-5-6-13-9-10-15(22)16(23)12-13/h3-10,12H,11H2,1-2H3
InChIKeyRIPSUFUPBNWWTF-UHFFFAOYSA-N
MW430.29 g/mol
LogP3.77
Rot. Bonds3

About 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 73309261) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID73309261
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC Name1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESCN1C(=O)N(C)C2(C1=O)C(=O)N(CC=Cc1ccc(Cl)c(Cl)c1)c1ccccc12
InChIInChI=1S/C21H17Cl2N3O3/c1-24-18(27)21(25(2)20(24)29)14-7-3-4-8-17(14)26(19(21)28)11-5-6-13-9-10-15(22)16(23)12-13/h3-10,12H,11H2,1-2H3
InChIKeyRIPSUFUPBNWWTF-UHFFFAOYSA-N
XLogP3.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 54589851
(5R)-1'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 90752194
(1S,3R,3aR,6aS)-5-(3-chlorophenyl)-1-methyl-1'-[(Z)-3-phenylprop-2-enyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 40845004
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
CID 98392744
1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione
CID 25006661
3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131897
1'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 157014506
1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 20501035
(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one
CID 51465603
(1S,3R,3aR,6aS)-5-benzyl-1-methyl-1'-[(Z)-3-phenylprop-2-enyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 51543964
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131876
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 1249734

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 73309261) is 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is CN1C(=O)N(C)C2(C1=O)C(=O)N(CC=Cc1ccc(Cl)c(Cl)c1)c1ccccc12.
What is the InChIKey of 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is RIPSUFUPBNWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-24-18(27)21(25(2)20(24)29)14-7-3-4-8-17(14)26(19(21)28)11-5-6-13-9-10-15(22)16(23)12-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 430.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(3,4-dichlorophenyl)prop-2-enyl]-1,3-dimethylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 73309261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).