(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one

C29H19N3O4 — CID 10814340

IUPAC(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C29H19N3O4/c33-27(21-7-3-1-4-8-21)22-13-17-24(18-14-22)31-28(23-9-5-2-6-10-23)30-26(29(31)34)19-20-11-15-25(16-12-20)32(35)36/h1-19H/b26-19-
InChIKeyOEXQGOOZTLHPAF-XHPQRKPJSA-N
MW473.49 g/mol
LogP5.66
Rot. Bonds6

About (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one

(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 10814340) has the molecular formula C29H19N3O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID10814340
Molecular FormulaC29H19N3O4
Molecular Weight473.49 g/mol
Exact Mass473.14
IUPAC Name(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C29H19N3O4/c33-27(21-7-3-1-4-8-21)22-13-17-24(18-14-22)31-28(23-9-5-2-6-10-23)30-26(29(31)34)19-20-11-15-25(16-12-20)32(35)36/h1-19H/b26-19-
InChIKeyOEXQGOOZTLHPAF-XHPQRKPJSA-N
XLogP5.66
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 2270690
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
(5E)-3-(4-methoxyphenyl)-2-(3-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 46497390
(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one
CID 12791986
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonate
CID 7832187
3-(4-chlorophenyl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 1335990
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
CID 164620800
(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 5471575
3-(2-hydroxy-4-nitrophenyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one
CID 3672275
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343
(5E)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 26476277

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one (CID 10814340) is (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one is O=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1.
What is the InChIKey of (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is OEXQGOOZTLHPAF-XHPQRKPJSA-N. The full InChI is InChI=1S/C29H19N3O4/c33-27(21-7-3-1-4-8-21)22-13-17-24(18-14-22)31-28(23-9-5-2-6-10-23)30-26(29(31)34)19-20-11-15-25(16-12-20)32(35)36/h1-19H/b26-19-.
What are the key properties of (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one?
(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 473.49 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 10814340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).