5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one

C26H24FN3O — CID 7150039

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one
SMILESCc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)N=C2c2ccccc2F)c(C)c1
InChIInChI=1S/C26H24FN3O/c1-17-9-14-24(18(2)15-17)30-25(21-7-5-6-8-22(21)27)28-23(26(30)31)16-19-10-12-20(13-11-19)29(3)4/h5-16H,1-4H3
InChIKeyZKIRNVKRHXPSDM-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.34
Rot. Bonds4

About 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one

5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one (PubChem CID 7150039) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one
PubChem CID7150039
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one
SMILESCc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)N=C2c2ccccc2F)c(C)c1
InChIInChI=1S/C26H24FN3O/c1-17-9-14-24(18(2)15-17)30-25(21-7-5-6-8-22(21)27)28-23(26(30)31)16-19-10-12-20(13-11-19)29(3)4/h5-16H,1-4H3
InChIKeyZKIRNVKRHXPSDM-UHFFFAOYSA-N
XLogP5.34
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', '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 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one (CID 7150039) is 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one is Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)N=C2c2ccccc2F)c(C)c1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one?
The InChIKey is ZKIRNVKRHXPSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c1-17-9-14-24(18(2)15-17)30-25(21-7-5-6-8-22(21)27)28-23(26(30)31)16-19-10-12-20(13-11-19)29(3)4/h5-16H,1-4H3.
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one?
5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one has a molecular weight of 413.50 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)imidazol-4-one is sourced from PubChem (CID 7150039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).