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

C23H22Cl2N2O3 — CID 126087649

IUPAC(5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H22Cl2N2O3/c24-17-11-10-16(19(25)13-17)14-30-21-9-5-4-6-15(21)12-20-22(28)27(23(29)26-20)18-7-2-1-3-8-18/h4-6,9-13,18H,1-3,7-8,14H2,(H,26,29)/b20-12-
InChIKeyPJYHOHYTBNLHNF-NDENLUEZSA-N
MW445.35 g/mol
LogP5.80
Rot. Bonds5

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

(5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126087649) has the molecular formula C23H22Cl2N2O3 and a molecular weight of 445.35 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126087649
Molecular FormulaC23H22Cl2N2O3
Molecular Weight445.35 g/mol
Exact Mass444.10
IUPAC Name(5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H22Cl2N2O3/c24-17-11-10-16(19(25)13-17)14-30-21-9-5-4-6-15(21)12-20-22(28)27(23(29)26-20)18-7-2-1-3-8-18/h4-6,9-13,18H,1-3,7-8,14H2,(H,26,29)/b20-12-
InChIKeyPJYHOHYTBNLHNF-NDENLUEZSA-N
XLogP5.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 55.80
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'}

Analyze (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 126091369
(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126097230
3-cyclohexyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3442593
(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126083453
(5E)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148765
(5E)-3-cyclohexyl-5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547787
1-cyclohexyl-5-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3719920
(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126086497
1-cyclohexyl-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3309991
(5E)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 752115
(5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126085444
2-[[4-[(Z)-(1-cyclohexyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-iodophenoxy]methyl]benzonitrile
CID 126085115

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 126087649) is (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1.
What is the InChIKey of (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is PJYHOHYTBNLHNF-NDENLUEZSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3/c24-17-11-10-16(19(25)13-17)14-30-21-9-5-4-6-15(21)12-20-22(28)27(23(29)26-20)18-7-2-1-3-8-18/h4-6,9-13,18H,1-3,7-8,14H2,(H,26,29)/b20-12-.
What are the key properties of (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 445.35 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126087649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).