(5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one

C27H25N3O3 — CID 6448394

IUPAC(5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C27H25N3O3/c1-32-24-13-7-21(8-14-24)26-28-25(19-20-5-3-2-4-6-20)27(31)30(26)23-11-9-22(10-12-23)29-15-17-33-18-16-29/h2-14,19H,15-18H2,1H3/b25-19-
InChIKeyJETLWSBXRFYUDW-PLRJNAJWSA-N
MW439.52 g/mol
LogP4.37
Rot. Bonds5

About (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one

(5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one (PubChem CID 6448394) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one
PubChem CID6448394
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name(5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C27H25N3O3/c1-32-24-13-7-21(8-14-24)26-28-25(19-20-5-3-2-4-6-20)27(31)30(26)23-11-9-22(10-12-23)29-15-17-33-18-16-29/h2-14,19H,15-18H2,1H3/b25-19-
InChIKeyJETLWSBXRFYUDW-PLRJNAJWSA-N
XLogP4.37
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.37
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'}

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Related Compounds

2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 122177854
2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 122177851
2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 122177852
2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 122177853
N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
CID 122177913
2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 122177918
N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
CID 122177924
2-(4-methoxyphenyl)-3-[2-(4-morpholinyl)ethyl]-4(3H)-quinazolinone
CID 1249508
2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-N-phenylacetamide
CID 82251501
(E)-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 137644351
N-(2-Ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-YL)acetamide
CID 91887491
4H-Imidazol-4-one, 3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-5-((4-methoxyphenyl)methylene)-2-phenyl-
CID 6448174

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one (CID 6448394) is (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one is COc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The InChIKey is JETLWSBXRFYUDW-PLRJNAJWSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-32-24-13-7-21(8-14-24)26-28-25(19-20-5-3-2-4-6-20)27(31)30(26)23-11-9-22(10-12-23)29-15-17-33-18-16-29/h2-14,19H,15-18H2,1H3/b25-19-.
What are the key properties of (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
(5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one has a molecular weight of 439.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one is sourced from PubChem (CID 6448394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).