(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

C21H19FN4O5 — CID 126148641

IUPAC(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19FN4O5/c22-17-11-15(3-6-19(17)24-7-9-31-10-8-24)12-18-20(27)25(21(28)23-18)13-14-1-4-16(5-2-14)26(29)30/h1-6,11-12H,7-10,13H2,(H,23,28)/b18-12-
InChIKeyYISWJMZDJDFQPK-PDGQHHTCSA-N
MW426.40 g/mol
LogP2.66
Rot. Bonds5

About (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126148641) has the molecular formula C21H19FN4O5 and a molecular weight of 426.40 g/mol. Its IUPAC name is (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID126148641
Molecular FormulaC21H19FN4O5
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19FN4O5/c22-17-11-15(3-6-19(17)24-7-9-31-10-8-24)12-18-20(27)25(21(28)23-18)13-14-1-4-16(5-2-14)26(29)30/h1-6,11-12H,7-10,13H2,(H,23,28)/b18-12-
InChIKeyYISWJMZDJDFQPK-PDGQHHTCSA-N
XLogP2.66
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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'}

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Related Compounds

3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 1006186
(5E)-3-[(4-bromophenyl)methyl]-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 6519058
5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 3923538
2-[(4Z)-4-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126154508
(5E)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 50854719
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 21374381
(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 126015358
5-[[2-methoxy-4-[[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3930008
(5E)-5-[[3-bromo-5-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126016180
5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 4159725
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
(5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50864236

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 126148641) is (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is O=C1N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is YISWJMZDJDFQPK-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H19FN4O5/c22-17-11-15(3-6-19(17)24-7-9-31-10-8-24)12-18-20(27)25(21(28)23-18)13-14-1-4-16(5-2-14)26(29)30/h1-6,11-12H,7-10,13H2,(H,23,28)/b18-12-.
What are the key properties of (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 426.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126148641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).