(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

C16H14N2O2 — CID 136893097

IUPAC(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESCc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2)cc1C
InChIInChI=1S/C16H14N2O2/c1-10-5-6-12(8-11(10)2)15-17-14(16(19)18-15)9-13-4-3-7-20-13/h3-9H,1-2H3,(H,17,18,19)/b14-9+
InChIKeyAVPUBTYVRXXNNT-NTEUORMPSA-N
MW266.30 g/mol
LogP2.81
Rot. Bonds2

About (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 136893097) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID136893097
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESCc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2)cc1C
InChIInChI=1S/C16H14N2O2/c1-10-5-6-12(8-11(10)2)15-17-14(16(19)18-15)9-13-4-3-7-20-13/h3-9H,1-2H3,(H,17,18,19)/b14-9+
InChIKeyAVPUBTYVRXXNNT-NTEUORMPSA-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-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
(4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one
CID 136894729
2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135519731
(4E)-2-(2-bromophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135699223
(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3,4-dimethylphenyl)-1H-imidazol-5-one
CID 136894365
(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135934938
4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 171147744
(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895219
(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895408
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 171147748
(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893104

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (CID 136893097) is (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2)cc1C.
What is the InChIKey of (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is AVPUBTYVRXXNNT-NTEUORMPSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-5-6-12(8-11(10)2)15-17-14(16(19)18-15)9-13-4-3-7-20-13/h3-9H,1-2H3,(H,17,18,19)/b14-9+.
What are the key properties of (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-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 (4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 136893097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).