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

C24H18Cl2N2O3 — CID 126213334

IUPAC(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H18Cl2N2O3/c25-19-10-9-18(21(26)13-19)15-31-20-8-4-7-17(11-20)12-22-23(29)28(24(30)27-22)14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,27,30)/b22-12+
InChIKeyPIZZVEFKINRFPS-WSDLNYQXSA-N
MW453.33 g/mol
LogP5.67
Rot. Bonds6

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

(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126213334) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126213334
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC Name(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H18Cl2N2O3/c25-19-10-9-18(21(26)13-19)15-31-20-8-4-7-17(11-20)12-22-23(29)28(24(30)27-22)14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,27,30)/b22-12+
InChIKeyPIZZVEFKINRFPS-WSDLNYQXSA-N
XLogP5.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126213972
methyl 5-[[(4Z)-4-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126403964
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126253346
(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6383605
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243184
(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124665404
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126077344
(5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1316496
(5E)-5-[[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126234615
methyl 5-[[4-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3552984
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697530
3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 4076719

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 126213334) is (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is PIZZVEFKINRFPS-WSDLNYQXSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c25-19-10-9-18(21(26)13-19)15-31-20-8-4-7-17(11-20)12-22-23(29)28(24(30)27-22)14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,27,30)/b22-12+.
What are the key properties of (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 453.33 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126213334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).