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

C29H29N3O5 — CID 6448402

IUPAC(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2=N/C(=C\c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C29H29N3O5/c1-34-24-11-5-21(6-12-24)28-30-25(18-20-4-13-26(35-2)27(19-20)36-3)29(33)32(28)23-9-7-22(8-10-23)31-14-16-37-17-15-31/h4-13,18-19H,14-17H2,1-3H3/b25-18-
InChIKeyZXEIEJHSYSOXSQ-BWAHOGKJSA-N
MW499.57 g/mol
LogP4.38
Rot. Bonds7

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

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one (PubChem CID 6448402) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one
PubChem CID6448402
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2=N/C(=C\c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C29H29N3O5/c1-34-24-11-5-21(6-12-24)28-30-25(18-20-4-13-26(35-2)27(19-20)36-3)29(33)32(28)23-9-7-22(8-10-23)31-14-16-37-17-15-31/h4-13,18-19H,14-17H2,1-3H3/b25-18-
InChIKeyZXEIEJHSYSOXSQ-BWAHOGKJSA-N
XLogP4.38
TPSA72.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-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

Related Compounds

5-chloro-6-(3,4-dimethoxyphenyl)-3-[(4-methoxybenzyl)amino]-1-phenyl-2(1H)-pyrazinone
CID 7119652
3-(benzylamino)-5-chloro-6-(3,4-dimethoxyphenyl)-1-phenyl-2(1H)-pyrazinone
CID 990603
5-chloro-6-(3,4-dimethoxyphenyl)-3-[(3-methoxybenzyl)amino]-1-phenyl-2(1H)-pyrazinone
CID 3475529
2-(4-Chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenylimidazol-4-one
CID 6617693
(4Z)-2-(4-Chlorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1-phenyl-4,5-dihydro-1H-imidazol-5-one
CID 45105627
(4Z)-2-(3,4-Dimethoxyphenyl)-1-(3-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 11654923
4H-Imidazol-4-one, 3,5-dihydro-5-((3,4-dimethoxyphenyl)methylene)-3-(2-methoxy-4-nitrophenyl)-2-phenyl-
CID 6448176
4H-Imidazol-4-one, 3,5-dihydro-2-(4-methoxyphenyl)-3-(4-(4-morpholinyl)phenyl)-5-(phenylmethylene)-
CID 6448394
4H-Imidazol-4-one, 3,5-dihydro-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-phenyl-
CID 6448397
4H-Imidazol-4-one, 3,5-dihydro-2-(4-methoxyphenyl)-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-
CID 6448398
4H-Imidazol-4-one, 3,5-dihydro-2-(4-chlorophenyl)-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-
CID 6448399
4H-Imidazol-4-one, 3,5-dihydro-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-(4-nitrophenyl)-
CID 6448400

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one (CID 6448402) is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one is COc1ccc(C2=N/C(=C\c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The InChIKey is ZXEIEJHSYSOXSQ-BWAHOGKJSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-34-24-11-5-21(6-12-24)28-30-25(18-20-4-13-26(35-2)27(19-20)36-3)29(33)32(28)23-9-7-22(8-10-23)31-14-16-37-17-15-31/h4-13,18-19H,14-17H2,1-3H3/b25-18-.
What are the key properties of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one has a molecular weight of 499.57 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one is sourced from PubChem (CID 6448402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).