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

C24H34N2O3 — CID 126088302

IUPAC(5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)(C)c1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O3/c1-23(2,3)17-12-15(13-18(20(17)27)24(4,5)6)14-19-21(28)26(22(29)25-19)16-10-8-7-9-11-16/h12-14,16,27H,7-11H2,1-6H3,(H,25,29)/b19-14-
InChIKeyQQAYWMWXQKLRDW-RGEXLXHISA-N
MW398.55 g/mol
LogP5.21
Rot. Bonds2

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

(5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126088302) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126088302
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name(5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)(C)c1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O3/c1-23(2,3)17-12-15(13-18(20(17)27)24(4,5)6)14-19-21(28)26(22(29)25-19)16-10-8-7-9-11-16/h12-14,16,27H,7-11H2,1-6H3,(H,25,29)/b19-14-
InChIKeyQQAYWMWXQKLRDW-RGEXLXHISA-N
XLogP5.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.21
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-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126092252
3-cyclohexyl-2-cyclohexylimino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3289532
(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 126027410
(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 126095210
(5Z)-3-cyclopropyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18936379
1-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6849225
(5Z)-3-cyclopropyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18936371
(5Z)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126089299
(5Z)-1-cyclohexyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 18531630
(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
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 6827495

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (CID 126088302) is (5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is CC(C)(C)c1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O.
What is the InChIKey of (5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is QQAYWMWXQKLRDW-RGEXLXHISA-N. The full InChI is InChI=1S/C24H34N2O3/c1-23(2,3)17-12-15(13-18(20(17)27)24(4,5)6)14-19-21(28)26(22(29)25-19)16-10-8-7-9-11-16/h12-14,16,27H,7-11H2,1-6H3,(H,25,29)/b19-14-.
What are the key properties of (5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-cyclohexyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 398.55 g/mol, XLogP of 5.21, 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-ditert-butyl-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126088302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).