(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one

C18H15N3O2 — CID 135611096

IUPAC(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one
SMILESCC(=O)c1ccc(NC2=N/C(=C\c3ccccc3)C(=O)N2)cc1
InChIInChI=1S/C18H15N3O2/c1-12(22)14-7-9-15(10-8-14)19-18-20-16(17(23)21-18)11-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21,23)/b16-11-
InChIKeyPYXNUSSZSAASFV-WJDWOHSUSA-N
MW305.34 g/mol
LogP2.83
Rot. Bonds3

About (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one

(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one (PubChem CID 135611096) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one
PubChem CID135611096
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one
SMILESCC(=O)c1ccc(NC2=N/C(=C\c3ccccc3)C(=O)N2)cc1
InChIInChI=1S/C18H15N3O2/c1-12(22)14-7-9-15(10-8-14)19-18-20-16(17(23)21-18)11-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21,23)/b16-11-
InChIKeyPYXNUSSZSAASFV-WJDWOHSUSA-N
XLogP2.83
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one
CID 135401845
(4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one
CID 167321685
2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 135489854
2-anilino-4-(1,3-benzothiazol-6-ylmethylidene)-1H-imidazol-5-one
CID 175424735
(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
CID 136843378
(4Z)-4-benzylidene-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-1H-imidazol-5-one
CID 135467767
(4Z)-4-[(4-acetylphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 142723384
(5Z)-3-acetyl-5-benzylidenepyrrol-2-one
CID 11252853
3-(4-acetylanilino)benzoic acid
CID 11184397
ethyl 2-[[(4Z)-4-benzylidene-5-oxo-1H-imidazol-2-yl]sulfanyl]-3-oxobutanoate
CID 135611061
(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one
CID 135611095
(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
CID 136893365

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one (CID 135611096) is (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one is CC(=O)c1ccc(NC2=N/C(=C\c3ccccc3)C(=O)N2)cc1.
What is the InChIKey of (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one?
The InChIKey is PYXNUSSZSAASFV-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12(22)14-7-9-15(10-8-14)19-18-20-16(17(23)21-18)11-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21,23)/b16-11-.
What are the key properties of (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one?
(4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one has a molecular weight of 305.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-acetylanilino)-4-benzylidene-1H-imidazol-5-one is sourced from PubChem (CID 135611096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).