(5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one

C27H24ClN3O3 — CID 6448399

IUPAC(5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C27H24ClN3O3/c1-33-24-12-2-19(3-13-24)18-25-27(32)31(26(29-25)20-4-6-21(28)7-5-20)23-10-8-22(9-11-23)30-14-16-34-17-15-30/h2-13,18H,14-17H2,1H3/b25-18-
InChIKeyCOCHNKGLTKDDCH-BWAHOGKJSA-N
MW473.96 g/mol
LogP5.02
Rot. Bonds5

About (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one

(5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one (PubChem CID 6448399) has the molecular formula C27H24ClN3O3 and a molecular weight of 473.96 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one
PubChem CID6448399
Molecular FormulaC27H24ClN3O3
Molecular Weight473.96 g/mol
Exact Mass473.15
IUPAC Name(5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C27H24ClN3O3/c1-33-24-12-2-19(3-13-24)18-25-27(32)31(26(29-25)20-4-6-21(28)7-5-20)23-10-8-22(9-11-23)30-14-16-34-17-15-30/h2-13,18H,14-17H2,1H3/b25-18-
InChIKeyCOCHNKGLTKDDCH-BWAHOGKJSA-N
XLogP5.02
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The IUPAC name of (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one (CID 6448399) is (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one is COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The InChIKey is COCHNKGLTKDDCH-BWAHOGKJSA-N. The full InChI is InChI=1S/C27H24ClN3O3/c1-33-24-12-2-19(3-13-24)18-25-27(32)31(26(29-25)20-4-6-21(28)7-5-20)23-10-8-22(9-11-23)30-14-16-34-17-15-30/h2-13,18H,14-17H2,1H3/b25-18-.
What are the key properties of (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
(5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one has a molecular weight of 473.96 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one is sourced from PubChem (CID 6448399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).