(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one

C16H20N2O2 — CID 136895030

IUPAC(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCC(C)Oc1ccc(/C=C2/N=C(C(C)C)NC2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-10(2)15-17-14(16(19)18-15)9-12-5-7-13(8-6-12)20-11(3)4/h5-11H,1-4H3,(H,17,18,19)/b14-9+
InChIKeyTWARBPBLYZFNKP-NTEUORMPSA-N
MW272.35 g/mol
LogP3.00
Rot. Bonds4

About (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895030) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895030
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCC(C)Oc1ccc(/C=C2/N=C(C(C)C)NC2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-10(2)15-17-14(16(19)18-15)9-12-5-7-13(8-6-12)20-11(3)4/h5-11H,1-4H3,(H,17,18,19)/b14-9+
InChIKeyTWARBPBLYZFNKP-NTEUORMPSA-N
XLogP3.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894654
(4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895029
(4E)-4-[(3-fluorophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894760
(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894502
5-[(4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 883209
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895621
(4E)-4-[(4-propan-2-yloxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 108937063
2-methyl-5-[(4-propan-2-yloxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4859994
(4E)-2-(2-chlorophenyl)-4-[(4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 34852441
(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893529

Frequently Asked Questions

What is the IUPAC name of (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one (CID 136895030) is (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one is CC(C)Oc1ccc(/C=C2/N=C(C(C)C)NC2=O)cc1.
What is the InChIKey of (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is TWARBPBLYZFNKP-NTEUORMPSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)15-17-14(16(19)18-15)9-12-5-7-13(8-6-12)20-11(3)4/h5-11H,1-4H3,(H,17,18,19)/b14-9+.
What are the key properties of (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 272.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).