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

C25H26BrIN2O4 — CID 126086001

IUPAC(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Br)cc1
InChIInChI=1S/C25H26BrIN2O4/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-
InChIKeyLNFUHAIZIVHLGX-BKUYFWCQSA-N
MW625.30 g/mol
LogP6.26
Rot. Bonds7

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

(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione (PubChem CID 126086001) has the molecular formula C25H26BrIN2O4 and a molecular weight of 625.30 g/mol. Its IUPAC name is (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
PubChem CID126086001
Molecular FormulaC25H26BrIN2O4
Molecular Weight625.30 g/mol
Exact Mass624.01
IUPAC Name(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Br)cc1
InChIInChI=1S/C25H26BrIN2O4/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-
InChIKeyLNFUHAIZIVHLGX-BKUYFWCQSA-N
XLogP6.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.30
LogP ≤ 56.26
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'}

Analyze (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 126083199
(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126097230
(5Z)-5-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 126094213
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-[[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3894803
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126140970
2-[(4E)-4-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126030451
2-[(4E)-4-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126241893
5-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3300925
5-[[3-bromo-5-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3707640
(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-butyl-1,3-thiazolidine-2,4-dione
CID 126067869

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione (CID 126086001) is (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione is CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Br)cc1.
What is the InChIKey of (5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The InChIKey is LNFUHAIZIVHLGX-BKUYFWCQSA-N. The full InChI is InChI=1S/C25H26BrIN2O4/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-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione has a molecular weight of 625.30 g/mol, XLogP of 6.26, 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-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione is sourced from PubChem (CID 126086001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).