1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

C22H23N3O3 — CID 24750578

IUPAC1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESCc1ccc2c(c1)C1(NC(=O)NC1=O)C(=O)N2Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H23N3O3/c1-13-5-10-17-16(11-13)22(18(26)23-20(28)24-22)19(27)25(17)12-14-6-8-15(9-7-14)21(2,3)4/h5-11H,12H2,1-4H3,(H2,23,24,26,28)
InChIKeyFGUOEIMVSHLYFH-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.87
Rot. Bonds2

About 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24750578) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24750578
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESCc1ccc2c(c1)C1(NC(=O)NC1=O)C(=O)N2Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H23N3O3/c1-13-5-10-17-16(11-13)22(18(26)23-20(28)24-22)19(27)25(17)12-14-6-8-15(9-7-14)21(2,3)4/h5-11H,12H2,1-4H3,(H2,23,24,26,28)
InChIKeyFGUOEIMVSHLYFH-UHFFFAOYSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24750738
1'-(2,1,3-benzoxadiazol-5-ylmethyl)-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820871
5'-methyl-1'-(2-phenylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820885
2-(5'-chloro-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl)acetic acid
CID 67497807
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
(3S)-5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 41290451
1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820824
1'-(cyclopropylmethyl)-5'-fluorospiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820816
5'-fluoro-1'-(2-pyrrol-1-ylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820818
5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24752295
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
1'-[(4-hexoxyphenyl)methyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177837

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24750578) is 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is Cc1ccc2c(c1)C1(NC(=O)NC1=O)C(=O)N2Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is FGUOEIMVSHLYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-5-10-17-16(11-13)22(18(26)23-20(28)24-22)19(27)25(17)12-14-6-8-15(9-7-14)21(2,3)4/h5-11H,12H2,1-4H3,(H2,23,24,26,28).
What are the key properties of 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 377.44 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-tert-butylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24750578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).