(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one

C17H14N2O2 — CID 136893365

IUPAC(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1
InChIInChI=1S/C17H14N2O2/c1-21-15-10-6-5-9-13(15)16-18-14(17(20)19-16)11-12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19,20)/b14-11+
InChIKeyVBYMLXYEDWTJFH-SDNWHVSQSA-N
MW278.31 g/mol
LogP2.61
Rot. Bonds3

About (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one

(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one (PubChem CID 136893365) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
PubChem CID136893365
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1
InChIInChI=1S/C17H14N2O2/c1-21-15-10-6-5-9-13(15)16-18-14(17(20)19-16)11-12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19,20)/b14-11+
InChIKeyVBYMLXYEDWTJFH-SDNWHVSQSA-N
XLogP2.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.61
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-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587
(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893624
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309
(4E)-2-(2-methylphenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893303
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895912
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4E)-2-(2,6-dimethoxyphenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893263
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one
CID 136894880
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895794

Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one?
The IUPAC name of (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one (CID 136893365) is (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one is COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1.
What is the InChIKey of (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one?
The InChIKey is VBYMLXYEDWTJFH-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-15-10-6-5-9-13(15)16-18-14(17(20)19-16)11-12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19,20)/b14-11+.
What are the key properties of (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one?
(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one has a molecular weight of 278.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 136893365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).