(4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one

C19H24N2O — CID 136894286

IUPAC(4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one
SMILESCC(C)(C)c1ccc(/C=C2/N=C(C3CCCC3)NC2=O)cc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)15-10-8-13(9-11-15)12-16-18(22)21-17(20-16)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,20,21,22)/b16-12+
InChIKeyLKTBVIRNAHJZAX-FOWTUZBSSA-N
MW296.41 g/mol
LogP4.04
Rot. Bonds2

About (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one

(4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one (PubChem CID 136894286) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one
PubChem CID136894286
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one
SMILESCC(C)(C)c1ccc(/C=C2/N=C(C3CCCC3)NC2=O)cc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)15-10-8-13(9-11-15)12-16-18(22)21-17(20-16)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,20,21,22)/b16-12+
InChIKeyLKTBVIRNAHJZAX-FOWTUZBSSA-N
XLogP4.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894294
(4E)-2-cyclopropyl-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893293
(4E)-4-[(3-bromophenyl)methylidene]-2-cyclohexyl-1H-imidazol-5-one
CID 136894603
(4E)-4-benzylidene-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136893396
(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895663
(4E)-2-cyclobutyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894594
(4E)-4-[(3-bromophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
CID 136894648
(4E)-2-cyclopentyl-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893767
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136894254
(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895662
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-cyclopropyl-1H-imidazol-5-one
CID 136894397
(4E)-2-cyclobutyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893231

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one (CID 136894286) is (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one is CC(C)(C)c1ccc(/C=C2/N=C(C3CCCC3)NC2=O)cc1.
What is the InChIKey of (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one?
The InChIKey is LKTBVIRNAHJZAX-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H24N2O/c1-19(2,3)15-10-8-13(9-11-15)12-16-18(22)21-17(20-16)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,20,21,22)/b16-12+.
What are the key properties of (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one?
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one has a molecular weight of 296.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-tert-butylphenyl)methylidene]-2-cyclopentyl-1H-imidazol-5-one is sourced from PubChem (CID 136894286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).