(5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione

C23H16N4O7 — CID 126205934

IUPAC(5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H16N4O7/c28-22-19(24-23(29)25(22)14-15-5-2-1-3-6-15)12-16-7-4-8-18(11-16)34-21-10-9-17(26(30)31)13-20(21)27(32)33/h1-13H,14H2,(H,24,29)/b19-12+
InChIKeyJFTVYEKSUNABGE-XDHOZWIPSA-N
MW460.40 g/mol
LogP4.39
Rot. Bonds7

About (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126205934) has the molecular formula C23H16N4O7 and a molecular weight of 460.40 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126205934
Molecular FormulaC23H16N4O7
Molecular Weight460.40 g/mol
Exact Mass460.10
IUPAC Name(5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H16N4O7/c28-22-19(24-23(29)25(22)14-15-5-2-1-3-6-15)12-16-7-4-8-18(11-16)34-21-10-9-17(26(30)31)13-20(21)27(32)33/h1-13H,14H2,(H,24,29)/b19-12+
InChIKeyJFTVYEKSUNABGE-XDHOZWIPSA-N
XLogP4.39
TPSA144.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 54.39
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

(5E)-3-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 126204208
(5E)-3-benzyl-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126212323
(5E)-3-benzyl-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126244712
(5E)-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6524395
(5E)-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124664268
3-[(4-bromophenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 3868898
(5E)-3-[(4-methylphenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126237829
(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126213972
(5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124641814
(5E)-1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2247759
(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126213334
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione (CID 126205934) is (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is JFTVYEKSUNABGE-XDHOZWIPSA-N. The full InChI is InChI=1S/C23H16N4O7/c28-22-19(24-23(29)25(22)14-15-5-2-1-3-6-15)12-16-7-4-8-18(11-16)34-21-10-9-17(26(30)31)13-20(21)27(32)33/h1-13H,14H2,(H,24,29)/b19-12+.
What are the key properties of (5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 460.40 g/mol, XLogP of 4.39, 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-(2,4-dinitrophenoxy)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126205934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).