(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

C23H20BrCl2N3O5 — CID 126374591

IUPAC(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Br)N1CCOCC1
InChIInChI=1S/C23H20BrCl2N3O5/c24-16-9-14(2-4-20(16)34-13-21(30)28-5-7-33-8-6-28)11-19-22(31)29(23(32)27-19)12-15-1-3-17(25)18(26)10-15/h1-4,9-11H,5-8,12-13H2,(H,27,32)/b19-11-
InChIKeyIDPFHQSPUDAHKT-ODLFYWEKSA-N
MW569.24 g/mol
LogP4.09
Rot. Bonds6

About (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126374591) has the molecular formula C23H20BrCl2N3O5 and a molecular weight of 569.24 g/mol. Its IUPAC name is (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID126374591
Molecular FormulaC23H20BrCl2N3O5
Molecular Weight569.24 g/mol
Exact Mass567.00
IUPAC Name(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Br)N1CCOCC1
InChIInChI=1S/C23H20BrCl2N3O5/c24-16-9-14(2-4-20(16)34-13-21(30)28-5-7-33-8-6-28)11-19-22(31)29(23(32)27-19)12-15-1-3-17(25)18(26)10-15/h1-4,9-11H,5-8,12-13H2,(H,27,32)/b19-11-
InChIKeyIDPFHQSPUDAHKT-ODLFYWEKSA-N
XLogP4.09
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126374903
2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
CID 126379649
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 124551263
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126020712
4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 4313647
3-[[2-bromo-4-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126256539
(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155951
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
methyl 5-[[(4Z)-4-[[3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-5-nitrophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404507
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126239826
(5E)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 126386617

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (CID 126374591) is (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Br)N1CCOCC1.
What is the InChIKey of (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is IDPFHQSPUDAHKT-ODLFYWEKSA-N. The full InChI is InChI=1S/C23H20BrCl2N3O5/c24-16-9-14(2-4-20(16)34-13-21(30)28-5-7-33-8-6-28)11-19-22(31)29(23(32)27-19)12-15-1-3-17(25)18(26)10-15/h1-4,9-11H,5-8,12-13H2,(H,27,32)/b19-11-.
What are the key properties of (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 569.24 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126374591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).