4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid

C15H16N2O4 — CID 6447285

IUPAC4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
SMILESCC1=N/C(=C/c2ccc(O)cc2)C(=O)N1CCCC(=O)O
InChIInChI=1S/C15H16N2O4/c1-10-16-13(9-11-4-6-12(18)7-5-11)15(21)17(10)8-2-3-14(19)20/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)/b13-9+
InChIKeyCKZKOMRDFLQRMR-UKTHLTGXSA-N
MW288.30 g/mol
LogP1.86
Rot. Bonds5

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

4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid (PubChem CID 6447285) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
PubChem CID6447285
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
SMILESCC1=N/C(=C/c2ccc(O)cc2)C(=O)N1CCCC(=O)O
InChIInChI=1S/C15H16N2O4/c1-10-16-13(9-11-4-6-12(18)7-5-11)15(21)17(10)8-2-3-14(19)20/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)/b13-9+
InChIKeyCKZKOMRDFLQRMR-UKTHLTGXSA-N
XLogP1.86
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.86
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

4-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447270
(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
CID 102017980
bis(4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine
CID 6447286
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one
CID 101181572
2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536181
4-[(4Z)-4-[(4-bromophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]butanoic acid
CID 134824256
2-[(4Z)-2-ethanimidoyl-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
CID 137350180
ethyl 2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetate
CID 14176152
(5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one
CID 149261664
(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione
CID 102336927
2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-(3-methylsulfanylpropanimidoyl)-5-oxoimidazol-1-yl]acetic acid
CID 137349808
tert-butyl 2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetate
CID 139476155

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid?
The IUPAC name of 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid (CID 6447285) is 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid?
The canonical SMILES for 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid is CC1=N/C(=C/c2ccc(O)cc2)C(=O)N1CCCC(=O)O.
What is the InChIKey of 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid?
The InChIKey is CKZKOMRDFLQRMR-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-16-13(9-11-4-6-12(18)7-5-11)15(21)17(10)8-2-3-14(19)20/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)/b13-9+.
What are the key properties of 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid?
4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid is sourced from PubChem (CID 6447285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).