5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one

C19H17N3O — CID 68756462

IUPAC5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one
SMILESCN(C)c1ccc(C=CC2=NC(c3ccccc3)=NC2=O)cc1
InChIInChI=1S/C19H17N3O/c1-22(2)16-11-8-14(9-12-16)10-13-17-19(23)21-18(20-17)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyNCMCHPOWALHUHA-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.19
Rot. Bonds4

About 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one

5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one (PubChem CID 68756462) has the molecular formula C19H17N3O and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one
PubChem CID68756462
Molecular FormulaC19H17N3O
Molecular Weight303.36 g/mol
Exact Mass303.14
IUPAC Name5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one
SMILESCN(C)c1ccc(C=CC2=NC(c3ccccc3)=NC2=O)cc1
InChIInChI=1S/C19H17N3O/c1-22(2)16-11-8-14(9-12-16)10-13-17-19(23)21-18(20-17)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyNCMCHPOWALHUHA-UHFFFAOYSA-N
XLogP3.19
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one?
The IUPAC name of 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one (CID 68756462) is 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one?
The canonical SMILES for 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one is CN(C)c1ccc(C=CC2=NC(c3ccccc3)=NC2=O)cc1.
What is the InChIKey of 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one?
The InChIKey is NCMCHPOWALHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-22(2)16-11-8-14(9-12-16)10-13-17-19(23)21-18(20-17)15-6-4-3-5-7-15/h3-13H,1-2H3.
What are the key properties of 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one?
5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one has a molecular weight of 303.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one is sourced from PubChem (CID 68756462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).