(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one

C24H19N3O5 — CID 6448174

IUPAC(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3OC)C2=O)cc1
InChIInChI=1S/C24H19N3O5/c1-31-19-11-8-16(9-12-19)14-20-24(28)26(23(25-20)17-6-4-3-5-7-17)21-13-10-18(27(29)30)15-22(21)32-2/h3-15H,1-2H3/b20-14-
InChIKeyUZYUPURYVKJYSV-ZHZULCJRSA-N
MW429.43 g/mol
LogP4.45
Rot. Bonds6

About (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one

(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 6448174) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID6448174
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3OC)C2=O)cc1
InChIInChI=1S/C24H19N3O5/c1-31-19-11-8-16(9-12-19)14-20-24(28)26(23(25-20)17-6-4-3-5-7-17)21-13-10-18(27(29)30)15-22(21)32-2/h3-15H,1-2H3/b20-14-
InChIKeyUZYUPURYVKJYSV-ZHZULCJRSA-N
XLogP4.45
TPSA94.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one (CID 6448174) is (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one is COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3OC)C2=O)cc1.
What is the InChIKey of (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is UZYUPURYVKJYSV-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-31-19-11-8-16(9-12-19)14-20-24(28)26(23(25-20)17-6-4-3-5-7-17)21-13-10-18(27(29)30)15-22(21)32-2/h3-15H,1-2H3/b20-14-.
What are the key properties of (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 429.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 6448174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).