(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

C24H22ClN3O3 — CID 5345102

IUPAC(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
SMILESCc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClN3O3/c1-16-3-5-18(6-4-16)22(29)20-21(17-7-9-19(25)10-8-17)28(24(31)23(20)30)13-2-12-27-14-11-26-15-27/h3-11,14-15,21,29H,2,12-13H2,1H3/b22-20-
InChIKeyWVDLFRVJTOFILW-XDOYNYLZSA-N
MW435.91 g/mol
LogP4.36
Rot. Bonds6

About (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione (PubChem CID 5345102) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
PubChem CID5345102
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
SMILESCc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClN3O3/c1-16-3-5-18(6-4-16)22(29)20-21(17-7-9-19(25)10-8-17)28(24(31)23(20)30)13-2-12-27-14-11-26-15-27/h3-11,14-15,21,29H,2,12-13H2,1H3/b22-20-
InChIKeyWVDLFRVJTOFILW-XDOYNYLZSA-N
XLogP4.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-benzoyl-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 5761459
p53-MDM2-IN-4
CID 5761463
5-(4-bromophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 17572633
(4Z)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 23769605
(4Z)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 71459180
(4Z)-5-(2-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 71460973
(4Z)-5-(3,5-dimethylphenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 71462704
(4Z)-5-(4-bromophenyl)-4-[hydroxy-(4-iodophenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 71453811
(4Z)-5-(4-bromophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 71459181
2-(4-chlorophenyl)-4-hydroxy-1-[3-(1H-imidazol-5-yl)propyl]-3-(4-methylbenzoyl)-2H-pyrrol-5-one
CID 15955628
4-(4-fluorobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one
CID 5732814
Cambridge id 6176606
CID 2889474

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione (CID 5345102) is (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione?
The InChIKey is WVDLFRVJTOFILW-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16-3-5-18(6-4-16)22(29)20-21(17-7-9-19(25)10-8-17)28(24(31)23(20)30)13-2-12-27-14-11-26-15-27/h3-11,14-15,21,29H,2,12-13H2,1H3/b22-20-.
What are the key properties of (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione?
(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione has a molecular weight of 435.91 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 5345102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).