(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione

C25H26ClIN2O4 — CID 126083199

IUPAC(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H26ClIN2O4/c1-2-32-22-14-17(12-20(27)23(22)33-15-16-8-10-18(26)11-9-16)13-21-24(30)29(25(31)28-21)19-6-4-3-5-7-19/h8-14,19H,2-7,15H2,1H3,(H,28,31)/b21-13-
InChIKeyCLYCCCNHPHZFRM-BKUYFWCQSA-N
MW580.85 g/mol
LogP6.15
Rot. Bonds7

About (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione

(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione (PubChem CID 126083199) has the molecular formula C25H26ClIN2O4 and a molecular weight of 580.85 g/mol. Its IUPAC name is (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
PubChem CID126083199
Molecular FormulaC25H26ClIN2O4
Molecular Weight580.85 g/mol
Exact Mass580.06
IUPAC Name(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H26ClIN2O4/c1-2-32-22-14-17(12-20(27)23(22)33-15-16-8-10-18(26)11-9-16)13-21-24(30)29(25(31)28-21)19-6-4-3-5-7-19/h8-14,19H,2-7,15H2,1H3,(H,28,31)/b21-13-
InChIKeyCLYCCCNHPHZFRM-BKUYFWCQSA-N
XLogP6.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.85
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 126086001
(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126097230
5-[[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3894803
1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 5032565
(5E)-5-[[3-ethoxy-5-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126197893
5-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3300925
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126237152
5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 4016243
(5Z)-5-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 126094213
(5E)-3-benzyl-5-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126243022
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126412518
(5E)-3-(3-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126100114

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione (CID 126083199) is (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione is CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The InChIKey is CLYCCCNHPHZFRM-BKUYFWCQSA-N. The full InChI is InChI=1S/C25H26ClIN2O4/c1-2-32-22-14-17(12-20(27)23(22)33-15-16-8-10-18(26)11-9-16)13-21-24(30)29(25(31)28-21)19-6-4-3-5-7-19/h8-14,19H,2-7,15H2,1H3,(H,28,31)/b21-13-.
What are the key properties of (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione has a molecular weight of 580.85 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione is sourced from PubChem (CID 126083199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).