(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

C28H25N3O2 — CID 126235278

IUPAC(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1
InChIInChI=1S/C28H25N3O2/c1-19-10-12-21(13-11-19)17-31-27(32)25(29-28(31)33)15-23-18-30(26-9-4-3-8-24(23)26)16-22-7-5-6-20(2)14-22/h3-15,18H,16-17H2,1-2H3,(H,29,33)/b25-15+
InChIKeyJNJTZXHWLBRJSW-MFKUBSTISA-N
MW435.53 g/mol
LogP5.40
Rot. Bonds5

About (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 126235278) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
PubChem CID126235278
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1
InChIInChI=1S/C28H25N3O2/c1-19-10-12-21(13-11-19)17-31-27(32)25(29-28(31)33)15-23-18-30(26-9-4-3-8-24(23)26)16-22-7-5-6-20(2)14-22/h3-15,18H,16-17H2,1-2H3,(H,29,33)/b25-15+
InChIKeyJNJTZXHWLBRJSW-MFKUBSTISA-N
XLogP5.40
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126251094
3-[(4-fluorophenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1322775
(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44714570
(5E)-5-[(1-ethylindol-3-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5429451
(5E)-5-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237508
(5E)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126258604
(5E)-3-methyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126197044
1-benzyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1329245
2-[3-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetonitrile
CID 126240677
(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126025581
(5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126244564
5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 3906017

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (CID 126235278) is (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1.
What is the InChIKey of (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is JNJTZXHWLBRJSW-MFKUBSTISA-N. The full InChI is InChI=1S/C28H25N3O2/c1-19-10-12-21(13-11-19)17-31-27(32)25(29-28(31)33)15-23-18-30(26-9-4-3-8-24(23)26)16-22-7-5-6-20(2)14-22/h3-15,18H,16-17H2,1-2H3,(H,29,33)/b25-15+.
What are the key properties of (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 435.53 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126235278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).