4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide

C30H22ClN3O2 — CID 3842568

IUPAC4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3C(=O)C(=Cc4ccc(Cl)cc4)N=C3c3ccccc3)cc2)cc1
InChIInChI=1S/C30H22ClN3O2/c1-20-7-15-25(16-8-20)32-29(35)23-11-17-26(18-12-23)34-28(22-5-3-2-4-6-22)33-27(30(34)36)19-21-9-13-24(31)14-10-21/h2-19H,1H3,(H,32,35)
InChIKeyXKOPXZVGMARSKT-UHFFFAOYSA-N
MW491.98 g/mol
LogP6.74
Rot. Bonds5

About 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide

4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide (PubChem CID 3842568) has the molecular formula C30H22ClN3O2 and a molecular weight of 491.98 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
PubChem CID3842568
Molecular FormulaC30H22ClN3O2
Molecular Weight491.98 g/mol
Exact Mass491.14
IUPAC Name4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3C(=O)C(=Cc4ccc(Cl)cc4)N=C3c3ccccc3)cc2)cc1
InChIInChI=1S/C30H22ClN3O2/c1-20-7-15-25(16-8-20)32-29(35)23-11-17-26(18-12-23)34-28(22-5-3-2-4-6-22)33-27(30(34)36)19-21-9-13-24(31)14-10-21/h2-19H,1H3,(H,32,35)
InChIKeyXKOPXZVGMARSKT-UHFFFAOYSA-N
XLogP6.74
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.98
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide
CID 3701856
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
(5Z)-3-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one
CID 6066849
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
CID 3895481
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one
CID 12791986
(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 10814340
4-[2-[(4E)-4-[(4-methylphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoylamino]benzamide
CID 21232643
N-(4-methylphenyl)-4-[[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzamide
CID 3297983
(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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide (CID 3842568) is 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N3C(=O)C(=Cc4ccc(Cl)cc4)N=C3c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide?
The InChIKey is XKOPXZVGMARSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN3O2/c1-20-7-15-25(16-8-20)32-29(35)23-11-17-26(18-12-23)34-28(22-5-3-2-4-6-22)33-27(30(34)36)19-21-9-13-24(31)14-10-21/h2-19H,1H3,(H,32,35).
What are the key properties of 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide?
4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide has a molecular weight of 491.98 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 3842568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).