2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid

C19H16N2O4 — CID 5072268

IUPAC2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid
SMILESCOc1ccccc1C=C1N=C(c2ccccc2)N(CC(=O)O)C1=O
InChIInChI=1S/C19H16N2O4/c1-25-16-10-6-5-9-14(16)11-15-19(24)21(12-17(22)23)18(20-15)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyKSTMZWOMYBAWTK-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid

2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid (PubChem CID 5072268) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid
PubChem CID5072268
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid
SMILESCOc1ccccc1C=C1N=C(c2ccccc2)N(CC(=O)O)C1=O
InChIInChI=1S/C19H16N2O4/c1-25-16-10-6-5-9-14(16)11-15-19(24)21(12-17(22)23)18(20-15)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyKSTMZWOMYBAWTK-UHFFFAOYSA-N
XLogP2.41
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.41
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

(5E)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(2-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273988
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one
CID 6103653
2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide
CID 4292867
4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
CID 6447765
6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135434090
(5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
CID 70689732
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
CID 6617823
4-[(4Z)-4-[(4-bromophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]butanoic acid
CID 134824256
2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536181
2-[(4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]acetic acid
CID 9367732
2-[(4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetic acid
CID 53269869

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid (CID 5072268) is 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid is COc1ccccc1C=C1N=C(c2ccccc2)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid?
The InChIKey is KSTMZWOMYBAWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-16-10-6-5-9-14(16)11-15-19(24)21(12-17(22)23)18(20-15)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid?
2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid has a molecular weight of 336.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid is sourced from PubChem (CID 5072268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).