2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid

C13H12N2O4 — CID 102258080

IUPAC2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
SMILESCC1=N/C(=C\c2cccc(O)c2)C(=O)N1CC(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-14-11(13(19)15(8)7-12(17)18)6-9-3-2-4-10(16)5-9/h2-6,16H,7H2,1H3,(H,17,18)/b11-6-
InChIKeyOHKPFBGNOAEZGR-WDZFZDKYSA-N
MW260.25 g/mol
LogP1.08
Rot. Bonds3

About 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid

2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid (PubChem CID 102258080) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
PubChem CID102258080
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
SMILESCC1=N/C(=C\c2cccc(O)c2)C(=O)N1CC(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-14-11(13(19)15(8)7-12(17)18)6-9-3-2-4-10(16)5-9/h2-6,16H,7H2,1H3,(H,17,18)/b11-6-
InChIKeyOHKPFBGNOAEZGR-WDZFZDKYSA-N
XLogP1.08
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-((3,5-Difluoro-4-hydroxyphenyl)methylene)-3,5-dihydro-2,3-dimethyl-4H-Imidazol-4-one
CID 70808995
2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536184
2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536185
2-[(4Z)-4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 102258081
{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
CID 49866821
Chromophore (lys-tyr-gly)
CID 49866823
Chromophore (Gly-Tyr-Gly)
CID 49866829
Chromophore (asp-tyr-gly)
CID 49866928
[(4Z)-2-(1-Amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-YL]acetic acid
CID 49867069
methyl (E)-3-[(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]prop-2-enoate
CID 71240545
Dfhbi-1T
CID 101889712
3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid
CID 12536190

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid?
The IUPAC name of 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid (CID 102258080) is 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid is CC1=N/C(=C\c2cccc(O)c2)C(=O)N1CC(=O)O.
What is the InChIKey of 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid?
The InChIKey is OHKPFBGNOAEZGR-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-14-11(13(19)15(8)7-12(17)18)6-9-3-2-4-10(16)5-9/h2-6,16H,7H2,1H3,(H,17,18)/b11-6-.
What are the key properties of 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid?
2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid is sourced from PubChem (CID 102258080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).