4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid

C17H11ClN2O4 — CID 900674

IUPAC4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(C=C2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C17H11ClN2O4/c18-12-5-7-13(8-6-12)20-15(21)14(19-17(20)24)9-10-1-3-11(4-2-10)16(22)23/h1-9H,(H,19,24)(H,22,23)
InChIKeyWICOSEKIAWUUAV-UHFFFAOYSA-N
MW342.74 g/mol
LogP3.14
Rot. Bonds3

About 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid

4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid (PubChem CID 900674) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
PubChem CID900674
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC Name4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(C=C2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C17H11ClN2O4/c18-12-5-7-13(8-6-12)20-15(21)14(19-17(20)24)9-10-1-3-11(4-2-10)16(22)23/h1-9H,(H,19,24)(H,22,23)
InChIKeyWICOSEKIAWUUAV-UHFFFAOYSA-N
XLogP3.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic 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

N-(4-chlorophenyl)-4-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]benzamide
CID 127042646
4-[[4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-iodophenoxy]methyl]benzoic acid
CID 126236856
(5E)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1487296
4-[[4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid
CID 126178535
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
4-[[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126173726
methyl 4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
CID 2188784
2-[2,6-dibromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126259679
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126250470
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2177673
(5E)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 6433059

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid?
The IUPAC name of 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid (CID 900674) is 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid is O=C(O)c1ccc(C=C2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid?
The InChIKey is WICOSEKIAWUUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-12-5-7-13(8-6-12)20-15(21)14(19-17(20)24)9-10-1-3-11(4-2-10)16(22)23/h1-9H,(H,19,24)(H,22,23).
What are the key properties of 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid?
4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid has a molecular weight of 342.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid is sourced from PubChem (CID 900674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).