(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one

C18H17N3O2 — CID 13436397

IUPAC(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(Nc3ccccc3)N(C)C2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-21-17(22)16(12-13-8-10-15(23-2)11-9-13)20-18(21)19-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20)/b16-12-
InChIKeyDSZYWOHEXVCBIW-VBKFSLOCSA-N
MW307.35 g/mol
LogP2.98
Rot. Bonds3

About (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one

(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one (PubChem CID 13436397) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
PubChem CID13436397
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(Nc3ccccc3)N(C)C2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-21-17(22)16(12-13-8-10-15(23-2)11-9-13)20-18(21)19-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20)/b16-12-
InChIKeyDSZYWOHEXVCBIW-VBKFSLOCSA-N
XLogP2.98
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one
CID 102212910
(5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
CID 11254546
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
(5E)-5-[(4-methoxyphenyl)methylidene]-3-[[4-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]phthalazin-1-yl]amino]-2-phenylimidazol-4-one
CID 99668741
methyl 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetate
CID 21230696
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one
CID 11224062
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(Z)-3-methyl-2-methylsulfanylbut-1-enyl]imidazol-4-one
CID 146019838
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
2-[(5E)-5-[(4-methoxyphenyl)methylidene]-6-oxo-3-phenylimidazo[1,2-b][1,2,4]triazol-2-yl]acetonitrile
CID 164576821

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one?
The IUPAC name of (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one (CID 13436397) is (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one.
What is the SMILES notation for (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one?
The canonical SMILES for (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one is COc1ccc(/C=C2\N=C(Nc3ccccc3)N(C)C2=O)cc1.
What is the InChIKey of (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one?
The InChIKey is DSZYWOHEXVCBIW-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-17(22)16(12-13-8-10-15(23-2)11-9-13)20-18(21)19-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20)/b16-12-.
What are the key properties of (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one?
(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one has a molecular weight of 307.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one is sourced from PubChem (CID 13436397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).