(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

C22H24N2O4 — CID 126248453

IUPAC(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1OC(C)C
InChIInChI=1S/C22H24N2O4/c1-14(2)28-20-17(9-6-10-19(20)27-4)12-18-21(25)24(22(26)23-18)13-16-8-5-7-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,23,26)/b18-12+
InChIKeyQGQNWHXILHFCLU-LDADJPATSA-N
MW380.44 g/mol
LogP3.88
Rot. Bonds6

About (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126248453) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID126248453
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1OC(C)C
InChIInChI=1S/C22H24N2O4/c1-14(2)28-20-17(9-6-10-19(20)27-4)12-18-21(25)24(22(26)23-18)13-16-8-5-7-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,23,26)/b18-12+
InChIKeyQGQNWHXILHFCLU-LDADJPATSA-N
XLogP3.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3998244
methyl 2-[4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 71832654
(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126254246
N-(4-fluorophenyl)-2-[(4E)-4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 22778642
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126230252
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148692
(5E)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252291
2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126250162
(5E)-5-[[3-bromo-4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126241458
(5E)-5-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252573
5-[(4-hydroxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 848307
(5E)-5-[(1-ethylindol-3-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5429451

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126248453) is (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is COc1cccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1OC(C)C.
What is the InChIKey of (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is QGQNWHXILHFCLU-LDADJPATSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)28-20-17(9-6-10-19(20)27-4)12-18-21(25)24(22(26)23-18)13-16-8-5-7-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,23,26)/b18-12+.
What are the key properties of (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 380.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126248453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).