[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate

C23H18N2O5S — CID 6478456

IUPAC[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate
SMILESCOc1ccc(S(=O)(=O)ON2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H18N2O5S/c1-29-19-12-14-20(15-13-19)31(27,28)30-25-22(18-10-6-3-7-11-18)24-21(23(25)26)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-
InChIKeyCRZQFTCOTCLRHB-PGMHBOJBSA-N
MW434.47 g/mol
LogP3.65
Rot. Bonds6

About [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate

[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate (PubChem CID 6478456) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate.

Molecular Properties

Compound Name[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate
PubChem CID6478456
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC Name[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate
SMILESCOc1ccc(S(=O)(=O)ON2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H18N2O5S/c1-29-19-12-14-20(15-13-19)31(27,28)30-25-22(18-10-6-3-7-11-18)24-21(23(25)26)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-
InChIKeyCRZQFTCOTCLRHB-PGMHBOJBSA-N
XLogP3.65
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
(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
(5E)-5-benzylidene-3-(4-methoxy-2-nitrophenyl)-2-phenylimidazol-4-one
CID 7343823
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonate
CID 7832187
2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137205917
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
CID 164620800
(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one
CID 102212910

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate?
The IUPAC name of [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate (CID 6478456) is [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate.
What is the SMILES notation for [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate?
The canonical SMILES for [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate is COc1ccc(S(=O)(=O)ON2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1.
What is the InChIKey of [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate?
The InChIKey is CRZQFTCOTCLRHB-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-29-19-12-14-20(15-13-19)31(27,28)30-25-22(18-10-6-3-7-11-18)24-21(23(25)26)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-.
What are the key properties of [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate?
[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate has a molecular weight of 434.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate is sourced from PubChem (CID 6478456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).