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

C14H14N2O4 — CID 12536185

IUPAC2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
SMILESCOc1ccc(/C=C2\N=C(C)N(CC(=O)O)C2=O)cc1
InChIInChI=1S/C14H14N2O4/c1-9-15-12(14(19)16(9)8-13(17)18)7-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,17,18)/b12-7-
InChIKeyBVCLRSRFISCXQH-GHXNOFRVSA-N
MW274.28 g/mol
LogP1.38
Rot. Bonds4

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

2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid (PubChem CID 12536185) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
PubChem CID12536185
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
SMILESCOc1ccc(/C=C2\N=C(C)N(CC(=O)O)C2=O)cc1
InChIInChI=1S/C14H14N2O4/c1-9-15-12(14(19)16(9)8-13(17)18)7-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,17,18)/b12-7-
InChIKeyBVCLRSRFISCXQH-GHXNOFRVSA-N
XLogP1.38
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-(4-methoxybenzylidene)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-one
CID 2324258
(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 2324259
2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536184
(2Z)-2-[(4-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 101896503
2-[(4Z)-4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 102258081
(2Z)-6-chloro-2-[(4-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 134134206
2-[(4Z)-4-[[4-(carboxymethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 134152926
(2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 134157234
(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
CID 2512881
{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
CID 49866821
methyl (E)-3-[(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]prop-2-enoate
CID 71240545
2-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 102258080

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid?
The IUPAC name of 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid (CID 12536185) is 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid is COc1ccc(/C=C2\N=C(C)N(CC(=O)O)C2=O)cc1.
What is the InChIKey of 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid?
The InChIKey is BVCLRSRFISCXQH-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-15-12(14(19)16(9)8-13(17)18)7-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,17,18)/b12-7-.
What are the key properties of 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid?
2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid is sourced from PubChem (CID 12536185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).