(5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione

C19H17IN2O3 — CID 126201008

IUPAC(5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCc1ccc(COc2ccc(/C=C3/NC(=O)N(C)C3=O)cc2I)cc1
InChIInChI=1S/C19H17IN2O3/c1-12-3-5-13(6-4-12)11-25-17-8-7-14(9-15(17)20)10-16-18(23)22(2)19(24)21-16/h3-10H,11H2,1-2H3,(H,21,24)/b16-10+
InChIKeyRBTWNLFWPKQXFB-MHWRWJLKSA-N
MW448.26 g/mol
LogP3.70
Rot. Bonds4

About (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione

(5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 126201008) has the molecular formula C19H17IN2O3 and a molecular weight of 448.26 g/mol. Its IUPAC name is (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID126201008
Molecular FormulaC19H17IN2O3
Molecular Weight448.26 g/mol
Exact Mass448.03
IUPAC Name(5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCc1ccc(COc2ccc(/C=C3/NC(=O)N(C)C3=O)cc2I)cc1
InChIInChI=1S/C19H17IN2O3/c1-12-3-5-13(6-4-12)11-25-17-8-7-14(9-15(17)20)10-16-18(23)22(2)19(24)21-16/h3-10H,11H2,1-2H3,(H,21,24)/b16-10+
InChIKeyRBTWNLFWPKQXFB-MHWRWJLKSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-3-ethyl-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126179288
(5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126194931
(5E)-5-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126196840
(5E)-3-ethyl-5-[[4-[(4-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126227626
(5E)-5-[[4-[(3-fluorophenyl)methoxy]-3-iodophenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126238094
(5E)-3-benzyl-5-[(3-iodo-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126240929
(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126248041
(5E)-5-[[3-ethoxy-5-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126197893
(5E)-5-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126257097
(5E)-3-(3-chlorophenyl)-5-[[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126082357
5-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124601493
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126231466

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione (CID 126201008) is (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione is Cc1ccc(COc2ccc(/C=C3/NC(=O)N(C)C3=O)cc2I)cc1.
What is the InChIKey of (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is RBTWNLFWPKQXFB-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H17IN2O3/c1-12-3-5-13(6-4-12)11-25-17-8-7-14(9-15(17)20)10-16-18(23)22(2)19(24)21-16/h3-10H,11H2,1-2H3,(H,21,24)/b16-10+.
What are the key properties of (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 448.26 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126201008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).