(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one

C19H19N3O — CID 46898573

IUPAC(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
SMILESCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)N=C1c1ccccc1
InChIInChI=1S/C19H19N3O/c1-21(2)16-11-9-14(10-12-16)13-17-19(23)22(3)18(20-17)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+
InChIKeyMKNRUHSDPNMSFT-GHRIWEEISA-N
MW305.38 g/mol
LogP3.01
Rot. Bonds3

About (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one

(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one (PubChem CID 46898573) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
PubChem CID46898573
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
SMILESCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)N=C1c1ccccc1
InChIInChI=1S/C19H19N3O/c1-21(2)16-11-9-14(10-12-16)13-17-19(23)22(3)18(20-17)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+
InChIKeyMKNRUHSDPNMSFT-GHRIWEEISA-N
XLogP3.01
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.01
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one?
The IUPAC name of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one (CID 46898573) is (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one.
What is the SMILES notation for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one?
The canonical SMILES for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one is CN1C(=O)/C(=C\c2ccc(N(C)C)cc2)N=C1c1ccccc1.
What is the InChIKey of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one?
The InChIKey is MKNRUHSDPNMSFT-GHRIWEEISA-N. The full InChI is InChI=1S/C19H19N3O/c1-21(2)16-11-9-14(10-12-16)13-17-19(23)22(3)18(20-17)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+.
What are the key properties of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one?
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one has a molecular weight of 305.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one is sourced from PubChem (CID 46898573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).