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

C25H18N4O4 — CID 2584504

IUPAC(5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccccc1
InChIInChI=1S/C25H18N4O4/c30-24-22(26-25(31)28(24)19-8-2-1-3-9-19)14-18-16-27(23-12-5-4-11-21(18)23)15-17-7-6-10-20(13-17)29(32)33/h1-14,16H,15H2,(H,26,31)/b22-14+
InChIKeyPUHBVFGVDRVKLV-HYARGMPZSA-N
MW438.44 g/mol
LogP4.70
Rot. Bonds5

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

(5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 2584504) has the molecular formula C25H18N4O4 and a molecular weight of 438.44 g/mol. Its IUPAC name is (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID2584504
Molecular FormulaC25H18N4O4
Molecular Weight438.44 g/mol
Exact Mass438.13
IUPAC Name(5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccccc1
InChIInChI=1S/C25H18N4O4/c30-24-22(26-25(31)28(24)19-8-2-1-3-9-19)14-18-16-27(23-12-5-4-11-21(18)23)15-17-7-6-10-20(13-17)29(32)33/h1-14,16H,15H2,(H,26,31)/b22-14+
InChIKeyPUHBVFGVDRVKLV-HYARGMPZSA-N
XLogP4.70
TPSA97.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-(3-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44713962
(5E)-3-(4-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126252642
(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126025581
(5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 44714573
(5E)-3-(4-chlorophenyl)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126195915
5-[(1-benzylindol-3-yl)methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2921697
(5E)-1-(3-chloro-4-methylphenyl)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126240851
(5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126105638
4-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,5-dione
CID 67698541
(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 45138065
(5E)-3-methyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126197044
(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1021155

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione (CID 2584504) is (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione is O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is PUHBVFGVDRVKLV-HYARGMPZSA-N. The full InChI is InChI=1S/C25H18N4O4/c30-24-22(26-25(31)28(24)19-8-2-1-3-9-19)14-18-16-27(23-12-5-4-11-21(18)23)15-17-7-6-10-20(13-17)29(32)33/h1-14,16H,15H2,(H,26,31)/b22-14+.
What are the key properties of (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione?
(5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 438.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2584504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).