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

C23H16F2N2O2 — CID 46497121

IUPAC(5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one
SMILESCOc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2cccc(F)c2)cc1
InChIInChI=1S/C23H16F2N2O2/c1-29-20-11-7-16(8-12-20)22-26-21(13-15-5-9-17(24)10-6-15)23(28)27(22)19-4-2-3-18(25)14-19/h2-14H,1H3/b21-13-
InChIKeyMXPUQAHGGDGNNO-BKUYFWCQSA-N
MW390.39 g/mol
LogP4.81
Rot. Bonds4

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

(5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one (PubChem CID 46497121) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is (5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one
PubChem CID46497121
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC Name(5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one
SMILESCOc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2cccc(F)c2)cc1
InChIInChI=1S/C23H16F2N2O2/c1-29-20-11-7-16(8-12-20)22-26-21(13-15-5-9-17(24)10-6-15)23(28)27(22)19-4-2-3-18(25)14-19/h2-14H,1H3/b21-13-
InChIKeyMXPUQAHGGDGNNO-BKUYFWCQSA-N
XLogP4.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one?
The IUPAC name of (5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one (CID 46497121) is (5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one is COc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2cccc(F)c2)cc1.
What is the InChIKey of (5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one?
The InChIKey is MXPUQAHGGDGNNO-BKUYFWCQSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c1-29-20-11-7-16(8-12-20)22-26-21(13-15-5-9-17(24)10-6-15)23(28)27(22)19-4-2-3-18(25)14-19/h2-14H,1H3/b21-13-.
What are the key properties of (5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one?
(5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one has a molecular weight of 390.39 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imidazol-4-one is sourced from PubChem (CID 46497121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).