(5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione

C23H18N4O6 — CID 126212323

IUPAC(5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C23H18N4O6/c1-32-20-12-16(7-9-19(20)33-21-10-8-17(13-24-21)27(30)31)11-18-22(28)26(23(29)25-18)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,29)/b18-11+
InChIKeyHRIBPFMOEXKREO-WOJGMQOQSA-N
MW446.42 g/mol
LogP3.88
Rot. Bonds7

About (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126212323) has the molecular formula C23H18N4O6 and a molecular weight of 446.42 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126212323
Molecular FormulaC23H18N4O6
Molecular Weight446.42 g/mol
Exact Mass446.12
IUPAC Name(5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C23H18N4O6/c1-32-20-12-16(7-9-19(20)33-21-10-8-17(13-24-21)27(30)31)11-18-22(28)26(23(29)25-18)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,29)/b18-11+
InChIKeyHRIBPFMOEXKREO-WOJGMQOQSA-N
XLogP3.88
TPSA123.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

3-[(2-fluorophenyl)methyl]-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1307756
(5E)-3-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 126204208
methyl 5-[[4-[[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3560349
(4Z)-4-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126412036
(5E)-3-[(3-bromophenyl)methyl]-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126177053
(5E)-3-benzyl-5-[(3-ethoxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126199339
methyl 5-[[(4Z)-4-[[3-bromo-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404276
5-[[2-methoxy-4-[[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3930008
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865
3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 4076719
(5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126205934

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 126212323) is (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione is COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is HRIBPFMOEXKREO-WOJGMQOQSA-N. The full InChI is InChI=1S/C23H18N4O6/c1-32-20-12-16(7-9-19(20)33-21-10-8-17(13-24-21)27(30)31)11-18-22(28)26(23(29)25-18)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,29)/b18-11+.
What are the key properties of (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 446.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126212323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).