(5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C18H15IN2O4 — CID 126207442

IUPAC(5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1O
InChIInChI=1S/C18H15IN2O4/c1-25-15-9-12(7-13(19)16(15)22)8-14-17(23)21(18(24)20-14)10-11-5-3-2-4-6-11/h2-9,22H,10H2,1H3,(H,20,24)/b14-8+
InChIKeyOORJSEZNWJQRSS-RIYZIHGNSA-N
MW450.23 g/mol
LogP3.10
Rot. Bonds4

About (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126207442) has the molecular formula C18H15IN2O4 and a molecular weight of 450.23 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126207442
Molecular FormulaC18H15IN2O4
Molecular Weight450.23 g/mol
Exact Mass450.01
IUPAC Name(5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1O
InChIInChI=1S/C18H15IN2O4/c1-25-15-9-12(7-13(19)16(15)22)8-14-17(23)21(18(24)20-14)10-11-5-3-2-4-6-11/h2-9,22H,10H2,1H3,(H,20,24)/b14-8+
InChIKeyOORJSEZNWJQRSS-RIYZIHGNSA-N
XLogP3.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-benzyl-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126252247
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126230252
1-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6804288
(5E)-3-benzyl-5-[(3-iodo-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126240929
(5E)-3-[(4-bromophenyl)methyl]-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6183720
3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2913448
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2910780
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049
(5E)-3-benzyl-5-[(3-ethoxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126199339
(5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
CID 126201974
(5E)-3-benzyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 91659291

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 126207442) is (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1O.
What is the InChIKey of (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is OORJSEZNWJQRSS-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H15IN2O4/c1-25-15-9-12(7-13(19)16(15)22)8-14-17(23)21(18(24)20-14)10-11-5-3-2-4-6-11/h2-9,22H,10H2,1H3,(H,20,24)/b14-8+.
What are the key properties of (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 450.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126207442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).