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

C28H27N3O4 — CID 6448398

IUPAC(5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccc(OC)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C28H27N3O4/c1-33-24-11-3-20(4-12-24)19-26-28(32)31(27(29-26)21-5-13-25(34-2)14-6-21)23-9-7-22(8-10-23)30-15-17-35-18-16-30/h3-14,19H,15-18H2,1-2H3/b26-19-
InChIKeyOXSJPVVHKSCEGY-XHPQRKPJSA-N
MW469.54 g/mol
LogP4.37
Rot. Bonds6

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

(5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one (PubChem CID 6448398) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one
PubChem CID6448398
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name(5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccc(OC)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C28H27N3O4/c1-33-24-11-3-20(4-12-24)19-26-28(32)31(27(29-26)21-5-13-25(34-2)14-6-21)23-9-7-22(8-10-23)30-15-17-35-18-16-30/h3-14,19H,15-18H2,1-2H3/b26-19-
InChIKeyOXSJPVVHKSCEGY-XHPQRKPJSA-N
XLogP4.37
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The IUPAC name of (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one (CID 6448398) is (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one is COc1ccc(/C=C2\N=C(c3ccc(OC)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
The InChIKey is OXSJPVVHKSCEGY-XHPQRKPJSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-33-24-11-3-20(4-12-24)19-26-28(32)31(27(29-26)21-5-13-25(34-2)14-6-21)23-9-7-22(8-10-23)30-15-17-35-18-16-30/h3-14,19H,15-18H2,1-2H3/b26-19-.
What are the key properties of (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one?
(5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one has a molecular weight of 469.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one is sourced from PubChem (CID 6448398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).