(5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one

C19H18N2OS — CID 11023709

IUPAC(5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one
SMILESCC(C)SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2OS/c1-14(2)23-19-20-17(13-15-9-5-3-6-10-15)18(22)21(19)16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-
InChIKeyNJRHBQCURMBTOI-LGMDPLHJSA-N
MW322.43 g/mol
LogP4.57
Rot. Bonds3

About (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one

(5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one (PubChem CID 11023709) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one
PubChem CID11023709
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name(5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one
SMILESCC(C)SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2OS/c1-14(2)23-19-20-17(13-15-9-5-3-6-10-15)18(22)21(19)16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-
InChIKeyNJRHBQCURMBTOI-LGMDPLHJSA-N
XLogP4.57
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(4E)-4-[(4-methylphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoylamino]benzamide
CID 21232643
2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 6214794
(5Z)-5-benzylidene-2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(4-fluorophenyl)imidazol-4-one
CID 25484657
methyl 5-[1-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylethyl]furan-2-carboxylate
CID 55604233
3-[(4Z)-4-[(4-methylphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoic acid
CID 53270288
(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
CID 88898974
2-[[1-(4-methylphenyl)-5-oxo-4-[(4-propan-2-ylphenyl)methylidene]imidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione
CID 4612042
methyl 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetate
CID 21230696
methyl 2-[2-[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoylamino]benzoate
CID 21232623
(2R)-2-[(4Z)-1-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylpropanamide
CID 2619556
1,5-dimethyl-4-[(4E)-4-[(3-methylthiophen-2-yl)methylidene]-5-oxo-2-propan-2-ylsulfanylimidazol-1-yl]-2-phenylpyrazol-3-one
CID 98573346
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 5034992

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one (CID 11023709) is (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one is CC(C)SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one?
The InChIKey is NJRHBQCURMBTOI-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14(2)23-19-20-17(13-15-9-5-3-6-10-15)18(22)21(19)16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-.
What are the key properties of (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one?
(5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one has a molecular weight of 322.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one is sourced from PubChem (CID 11023709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).