4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid

C19H16N2O4 — CID 6447765

IUPAC4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
SMILESCOc1ccccc1/C=C1/N=C(C)N(c2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C19H16N2O4/c1-12-20-16(11-14-5-3-4-6-17(14)25-2)18(22)21(12)15-9-7-13(8-10-15)19(23)24/h3-11H,1-2H3,(H,23,24)/b16-11+
InChIKeyZFQRCECMQOVODU-LFIBNONCSA-N
MW336.35 g/mol
LogP3.20
Rot. Bonds4

About 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid

4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid (PubChem CID 6447765) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
PubChem CID6447765
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
SMILESCOc1ccccc1/C=C1/N=C(C)N(c2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C19H16N2O4/c1-12-20-16(11-14-5-3-4-6-17(14)25-2)18(22)21(12)15-9-7-13(8-10-15)19(23)24/h3-11H,1-2H3,(H,23,24)/b16-11+
InChIKeyZFQRCECMQOVODU-LFIBNONCSA-N
XLogP3.20
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.20
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

2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide
CID 4292867
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343
2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid
CID 5072268
2-[(4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetic acid
CID 53269869
4-[(4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 135446807
2-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 87048428
6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135434090
2-chloro-5-[4-[(2-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 1253034
3-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 2892255
(6E)-6-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
CID 10730056
ethyl 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoate
CID 5298471
ethyl 4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate
CID 990116

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid?
The IUPAC name of 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid (CID 6447765) is 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid?
The canonical SMILES for 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid is COc1ccccc1/C=C1/N=C(C)N(c2ccc(C(=O)O)cc2)C1=O.
What is the InChIKey of 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid?
The InChIKey is ZFQRCECMQOVODU-LFIBNONCSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12-20-16(11-14-5-3-4-6-17(14)25-2)18(22)21(12)15-9-7-13(8-10-15)19(23)24/h3-11H,1-2H3,(H,23,24)/b16-11+.
What are the key properties of 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid?
4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid has a molecular weight of 336.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid is sourced from PubChem (CID 6447765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).