(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

C19H15Cl3N2O3 — CID 126114390

IUPAC(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H15Cl3N2O3/c1-2-27-17-6-5-13(20)7-12(17)8-16-18(25)24(19(26)23-16)10-11-3-4-14(21)9-15(11)22/h3-9H,2,10H2,1H3,(H,23,26)/b16-8-
InChIKeyRRDOCEVTBRWQGX-PXNMLYILSA-N
MW425.70 g/mol
LogP5.14
Rot. Bonds5

About (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126114390) has the molecular formula C19H15Cl3N2O3 and a molecular weight of 425.70 g/mol. Its IUPAC name is (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID126114390
Molecular FormulaC19H15Cl3N2O3
Molecular Weight425.70 g/mol
Exact Mass424.01
IUPAC Name(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H15Cl3N2O3/c1-2-27-17-6-5-13(20)7-12(17)8-16-18(25)24(19(26)23-16)10-11-3-4-14(21)9-15(11)22/h3-9H,2,10H2,1H3,(H,23,26)/b16-8-
InChIKeyRRDOCEVTBRWQGX-PXNMLYILSA-N
XLogP5.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 55.14
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

(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6524868
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 46499254
(5E)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148765
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4657088
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865627
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248829
(5E)-5-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126249801
(5E)-5-[(3-chloro-4,5-diethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 1306586
(5E)-5-[[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126196151
3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2908653
(5E)-5-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126020754
N-[3-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 126219073

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (CID 126114390) is (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is RRDOCEVTBRWQGX-PXNMLYILSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3/c1-2-27-17-6-5-13(20)7-12(17)8-16-18(25)24(19(26)23-16)10-11-3-4-14(21)9-15(11)22/h3-9H,2,10H2,1H3,(H,23,26)/b16-8-.
What are the key properties of (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 425.70 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126114390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).