(5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

C16H16Br2N2O3 — CID 126092252

IUPAC(5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H16Br2N2O3/c17-11-6-9(7-12(18)14(11)21)8-13-15(22)20(16(23)19-13)10-4-2-1-3-5-10/h6-8,10,21H,1-5H2,(H,19,23)/b13-8-
InChIKeyOXLAWLWWVSTBFC-JYRVWZFOSA-N
MW444.12 g/mol
LogP4.14
Rot. Bonds2

About (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126092252) has the molecular formula C16H16Br2N2O3 and a molecular weight of 444.12 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126092252
Molecular FormulaC16H16Br2N2O3
Molecular Weight444.12 g/mol
Exact Mass441.95
IUPAC Name(5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H16Br2N2O3/c17-11-6-9(7-12(18)14(11)21)8-13-15(22)20(16(23)19-13)10-4-2-1-3-5-10/h6-8,10,21H,1-5H2,(H,19,23)/b13-8-
InChIKeyOXLAWLWWVSTBFC-JYRVWZFOSA-N
XLogP4.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.12
LogP ≤ 54.14
H-Bond Donors ≤ 52
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-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

1-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6849225
(5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126088302
(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 126095210
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 19374978
(5Z)-3-cyclohexyl-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126084456
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251195
(5Z)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 6511944
(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126083453
(5Z)-3-cyclohexyl-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 126096600
(5Z)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126089299
(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 126086001
5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 78472496

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (CID 126092252) is (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)N1C1CCCCC1.
What is the InChIKey of (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is OXLAWLWWVSTBFC-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H16Br2N2O3/c17-11-6-9(7-12(18)14(11)21)8-13-15(22)20(16(23)19-13)10-4-2-1-3-5-10/h6-8,10,21H,1-5H2,(H,19,23)/b13-8-.
What are the key properties of (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 444.12 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126092252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).