(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one

C18H22N2O3 — CID 136894294

IUPAC(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2/N=C(C3CCCCC3)NC2=O)cc1OC
InChIInChI=1S/C18H22N2O3/c1-22-15-9-8-12(11-16(15)23-2)10-14-18(21)20-17(19-14)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,20,21)/b14-10+
InChIKeyRWCRWECSCFNBFO-GXDHUFHOSA-N
MW314.39 g/mol
LogP3.15
Rot. Bonds4

About (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136894294) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136894294
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2/N=C(C3CCCCC3)NC2=O)cc1OC
InChIInChI=1S/C18H22N2O3/c1-22-15-9-8-12(11-16(15)23-2)10-14-18(21)20-17(19-14)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,20,21)/b14-10+
InChIKeyRWCRWECSCFNBFO-GXDHUFHOSA-N
XLogP3.15
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-cyclobutyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894594
(4E)-2-cyclopentyl-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893767
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one
CID 136894286
(4E)-4-[(3-bromophenyl)methylidene]-2-cyclohexyl-1H-imidazol-5-one
CID 136894603
(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895826
(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895880
(4E)-4-[(3-bromophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
CID 136894648
(4E)-2-[(3,4-dimethoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894319
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136894498
(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895663
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-cyclopropyl-1H-imidazol-5-one
CID 136894397
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136895344

Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one (CID 136894294) is (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one is COc1ccc(/C=C2/N=C(C3CCCCC3)NC2=O)cc1OC.
What is the InChIKey of (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is RWCRWECSCFNBFO-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-15-9-8-12(11-16(15)23-2)10-14-18(21)20-17(19-14)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,20,21)/b14-10+.
What are the key properties of (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 314.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136894294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).