3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate

C20H16ClN2O3- — CID 2150154

IUPAC3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate
SMILESCc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2CCC(=O)[O-])cc1
InChIInChI=1S/C20H17ClN2O3/c1-13-2-6-15(7-3-13)19-22-17(12-14-4-8-16(21)9-5-14)20(26)23(19)11-10-18(24)25/h2-9,12H,10-11H2,1H3,(H,24,25)/p-1/b17-12-
InChIKeyWVFWPEKHXUDJHB-ATVHPVEESA-M
MW367.81 g/mol
LogP2.42
Rot. Bonds5

About 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate

3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate (PubChem CID 2150154) has the molecular formula C20H16ClN2O3- and a molecular weight of 367.81 g/mol. Its IUPAC name is 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate.

Molecular Properties

Compound Name3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate
PubChem CID2150154
Molecular FormulaC20H16ClN2O3-
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate
SMILESCc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2CCC(=O)[O-])cc1
InChIInChI=1S/C20H17ClN2O3/c1-13-2-6-15(7-3-13)19-22-17(12-14-4-8-16(21)9-5-14)20(26)23(19)11-10-18(24)25/h2-9,12H,10-11H2,1H3,(H,24,25)/p-1/b17-12-
InChIKeyWVFWPEKHXUDJHB-ATVHPVEESA-M
XLogP2.42
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate?
The IUPAC name of 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate (CID 2150154) is 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate.
What is the SMILES notation for 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate?
The canonical SMILES for 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate is Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2CCC(=O)[O-])cc1.
What is the InChIKey of 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate?
The InChIKey is WVFWPEKHXUDJHB-ATVHPVEESA-M. The full InChI is InChI=1S/C20H17ClN2O3/c1-13-2-6-15(7-3-13)19-22-17(12-14-4-8-16(21)9-5-14)20(26)23(19)11-10-18(24)25/h2-9,12H,10-11H2,1H3,(H,24,25)/p-1/b17-12-.
What are the key properties of 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate?
3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate has a molecular weight of 367.81 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate is sourced from PubChem (CID 2150154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).