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

C23H21Cl3N2O3 — CID 126083453

IUPAC(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H21Cl3N2O3/c24-17-9-5-4-6-15(17)13-31-21-18(25)10-14(11-19(21)26)12-20-22(29)28(23(30)27-20)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13H2,(H,27,30)/b20-12-
InChIKeyCUHAMZSDSXSOEN-NDENLUEZSA-N
MW479.79 g/mol
LogP6.45
Rot. Bonds5

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

(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126083453) has the molecular formula C23H21Cl3N2O3 and a molecular weight of 479.79 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126083453
Molecular FormulaC23H21Cl3N2O3
Molecular Weight479.79 g/mol
Exact Mass478.06
IUPAC Name(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H21Cl3N2O3/c24-17-9-5-4-6-15(17)13-31-21-18(25)10-14(11-19(21)26)12-20-22(29)28(23(30)27-20)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13H2,(H,27,30)/b20-12-
InChIKeyCUHAMZSDSXSOEN-NDENLUEZSA-N
XLogP6.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.79
LogP ≤ 56.45
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)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126091346
(5Z)-3-cyclohexyl-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126096607
(5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126087649
(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126097230
5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 1331639
(5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 126091369
(5E)-5-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126136369
2-[[4-[(Z)-(1-cyclohexyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-iodophenoxy]methyl]benzonitrile
CID 126085115
(5Z)-3-cyclohexyl-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126084456
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 126083199
(5E)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126253728
(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126179138

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 126083453) is (5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1C1CCCCC1.
What is the InChIKey of (5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is CUHAMZSDSXSOEN-NDENLUEZSA-N. The full InChI is InChI=1S/C23H21Cl3N2O3/c24-17-9-5-4-6-15(17)13-31-21-18(25)10-14(11-19(21)26)12-20-22(29)28(23(30)27-20)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13H2,(H,27,30)/b20-12-.
What are the key properties of (5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 479.79 g/mol, XLogP of 6.45, 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-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126083453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).