2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide

C24H18ClN3O3 — CID 10622588

IUPAC2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NN1C(=O)/C(=C/c2ccc(O)cc2)N=C1c1ccccc1
InChIInChI=1S/C24H18ClN3O3/c25-19-10-6-17(7-11-19)15-22(30)27-28-23(18-4-2-1-3-5-18)26-21(24(28)31)14-16-8-12-20(29)13-9-16/h1-14,29H,15H2,(H,27,30)/b21-14-
InChIKeyKQHNCGGSHWDIIL-STZFKDTASA-N
MW431.88 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide

2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide (PubChem CID 10622588) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
PubChem CID10622588
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NN1C(=O)/C(=C/c2ccc(O)cc2)N=C1c1ccccc1
InChIInChI=1S/C24H18ClN3O3/c25-19-10-6-17(7-11-19)15-22(30)27-28-23(18-4-2-1-3-5-18)26-21(24(28)31)14-16-8-12-20(29)13-9-16/h1-14,29H,15H2,(H,27,30)/b21-14-
InChIKeyKQHNCGGSHWDIIL-STZFKDTASA-N
XLogP3.95
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 53.95
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

(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
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(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
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
CID 3895481
2,4,4,4-tetrachloro-N-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]butanamide
CID 6294282
(2S)-2-(4-chlorophenyl)-3-methyl-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]butanamide
CID 5498819
(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 20845059
3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
CID 1047059
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537
(5Z)-3-anilino-2-benzylsulfanyl-5-[(4-chlorophenyl)methylidene]imidazol-4-one
CID 11235487

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide (CID 10622588) is 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide is O=C(Cc1ccc(Cl)cc1)NN1C(=O)/C(=C/c2ccc(O)cc2)N=C1c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide?
The InChIKey is KQHNCGGSHWDIIL-STZFKDTASA-N. The full InChI is InChI=1S/C24H18ClN3O3/c25-19-10-6-17(7-11-19)15-22(30)27-28-23(18-4-2-1-3-5-18)26-21(24(28)31)14-16-8-12-20(29)13-9-16/h1-14,29H,15H2,(H,27,30)/b21-14-.
What are the key properties of 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide?
2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide has a molecular weight of 431.88 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide is sourced from PubChem (CID 10622588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).