(5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione

C23H19N3O5 — CID 126181612

IUPAC(5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O
InChIInChI=1S/C23H19N3O5/c1-2-25-22(27)20(24-23(25)28)13-19-18-6-4-3-5-16(18)9-12-21(19)31-14-15-7-10-17(11-8-15)26(29)30/h3-13H,2,14H2,1H3,(H,24,28)/b20-13+
InChIKeyXHYCLKNQPXOFDW-DEDYPNTBSA-N
MW417.42 g/mol
LogP4.24
Rot. Bonds6

About (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione

(5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 126181612) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione
PubChem CID126181612
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name(5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O
InChIInChI=1S/C23H19N3O5/c1-2-25-22(27)20(24-23(25)28)13-19-18-6-4-3-5-16(18)9-12-21(19)31-14-15-7-10-17(11-8-15)26(29)30/h3-13H,2,14H2,1H3,(H,24,28)/b20-13+
InChIKeyXHYCLKNQPXOFDW-DEDYPNTBSA-N
XLogP4.24
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.24
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)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-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

2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
CID 882524
N-(3-methylphenyl)-2-[(4E)-4-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126104066
(5E)-2-(4-ethoxyphenyl)imino-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1,3-thiazolidin-4-one
CID 137079444
4-[[1-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzoic acid
CID 126252287
(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 126282020
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 126025178
(5E)-3-ethyl-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126080571
N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126217476
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
CID 110842100
(5E)-5-[[3,5-diiodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126235263
methyl 5-[[4-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 4241487
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154406

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione (CID 126181612) is (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O.
What is the InChIKey of (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is XHYCLKNQPXOFDW-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-2-25-22(27)20(24-23(25)28)13-19-18-6-4-3-5-16(18)9-12-21(19)31-14-15-7-10-17(11-8-15)26(29)30/h3-13H,2,14H2,1H3,(H,24,28)/b20-13+.
What are the key properties of (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione?
(5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 417.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126181612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).