(5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione

C23H14ClFI2N2O3 — CID 126108509

IUPAC(5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H14ClFI2N2O3/c24-15-2-1-3-17(11-15)29-22(30)20(28-23(29)31)10-14-8-18(26)21(19(27)9-14)32-12-13-4-6-16(25)7-5-13/h1-11H,12H2,(H,28,31)/b20-10+
InChIKeyCXYWMRDQOCZELK-KEBDBYFISA-N
MW674.63 g/mol
LogP6.36
Rot. Bonds5

About (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126108509) has the molecular formula C23H14ClFI2N2O3 and a molecular weight of 674.63 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126108509
Molecular FormulaC23H14ClFI2N2O3
Molecular Weight674.63 g/mol
Exact Mass673.88
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H14ClFI2N2O3/c24-15-2-1-3-17(11-15)29-22(30)20(28-23(29)31)10-14-8-18(26)21(19(27)9-14)32-12-13-4-6-16(25)7-5-13/h1-11H,12H2,(H,28,31)/b20-10+
InChIKeyCXYWMRDQOCZELK-KEBDBYFISA-N
XLogP6.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.63
LogP ≤ 56.36
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'}

Analyze (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-(3-chlorophenyl)-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126072682
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126110188
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126103566
(5E)-5-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126076312
(5E)-3-(3-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126100114
4-[[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 126123251
(5E)-3-(3-chlorophenyl)-5-[[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126108790
(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126237210
(5E)-3-(3-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126071686
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126112078
(5E)-3-(3-chlorophenyl)-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126113475
(5E)-3-(3-chlorophenyl)-5-[[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126082357

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione (CID 126108509) is (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is CXYWMRDQOCZELK-KEBDBYFISA-N. The full InChI is InChI=1S/C23H14ClFI2N2O3/c24-15-2-1-3-17(11-15)29-22(30)20(28-23(29)31)10-14-8-18(26)21(19(27)9-14)32-12-13-4-6-16(25)7-5-13/h1-11H,12H2,(H,28,31)/b20-10+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 674.63 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126108509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).