(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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Related Compounds

5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 5471575
(5E)-2-benzoyl-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-1H-1,2,4-triazin-6-one
CID 46935240
5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one
CID 5026373
2,4,4,4-tetrachloro-N-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]butanamide
CID 6294282
sodium (E)-(1-methyl-5-oxo-2-phenylimidazol-4-ylidene)methanolate
CID 20731528
N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 6979157
(3Z)-3-[4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-5-methoxy-1H-indol-2-one
CID 135884148
N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide
CID 26476935
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
(5E)-5-[(4-chlorophenyl)methylidene]-3-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-yl]-2-phenylimidazol-4-one
CID 10436722
(5E)-3-[[4,6-bis(1,3-benzothiazol-2-ylamino)-1,3,5-triazin-2-yl]amino]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 6516609

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).