4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

C16H14N2O2 — CID 171147744

IUPAC4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=NC(=Cc3ccc(C)o3)C(=O)N2)cc1
InChIInChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)15-17-14(16(19)18-15)9-13-8-5-11(2)20-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeyCEEOLBRNAKQSDD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.81
Rot. Bonds2

About 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (PubChem CID 171147744) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
PubChem CID171147744
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=NC(=Cc3ccc(C)o3)C(=O)N2)cc1
InChIInChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)15-17-14(16(19)18-15)9-13-8-5-11(2)20-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeyCEEOLBRNAKQSDD-UHFFFAOYSA-N
XLogP2.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.81
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)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893529
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517615
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517623
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893097
(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4Z)-2-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 805721
4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135507169
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (CID 171147744) is 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is Cc1ccc(C2=NC(=Cc3ccc(C)o3)C(=O)N2)cc1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The InChIKey is CEEOLBRNAKQSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)15-17-14(16(19)18-15)9-13-8-5-11(2)20-13/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one has a molecular weight of 266.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 171147744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).