(4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one

C16H20N2O — CID 136895621

IUPAC(4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1cc(C)c(/C=C2\N=C(C(C)C)NC2=O)c(C)c1
InChIInChI=1S/C16H20N2O/c1-9(2)15-17-14(16(19)18-15)8-13-11(4)6-10(3)7-12(13)5/h6-9H,1-5H3,(H,17,18,19)/b14-8-
InChIKeyFOLWUAFVWUUQAZ-ZSOIEALJSA-N
MW256.35 g/mol
LogP3.14
Rot. Bonds2

About (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895621) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895621
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1cc(C)c(/C=C2\N=C(C(C)C)NC2=O)c(C)c1
InChIInChI=1S/C16H20N2O/c1-9(2)15-17-14(16(19)18-15)8-13-11(4)6-10(3)7-12(13)5/h6-9H,1-5H3,(H,17,18,19)/b14-8-
InChIKeyFOLWUAFVWUUQAZ-ZSOIEALJSA-N
XLogP3.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895663
(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895662
(4E)-4-[(3-fluorophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894760
(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895030
(3E)-5-chloro-3-[(2,4,6-trimethylphenyl)methylidene]-1H-indol-2-one
CID 112979123
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 126256878
(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
CID 13199479
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136894868
(4Z)-2-[2-(furan-2-yl)ethyl]-4-[(2,4,6-trimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937535
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517616
(5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137080635

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one (CID 136895621) is (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one is Cc1cc(C)c(/C=C2\N=C(C(C)C)NC2=O)c(C)c1.
What is the InChIKey of (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is FOLWUAFVWUUQAZ-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H20N2O/c1-9(2)15-17-14(16(19)18-15)8-13-11(4)6-10(3)7-12(13)5/h6-9H,1-5H3,(H,17,18,19)/b14-8-.
What are the key properties of (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 256.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).