4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide

C26H20Cl2N4O4 — CID 5472047

IUPAC4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)N=C1c1ccccc1
InChIInChI=1S/C26H20Cl2N4O4/c1-15(33)29-19-10-11-20(23(14-19)36-2)25(34)31-32-24(16-6-4-3-5-7-16)30-22(26(32)35)12-17-8-9-18(27)13-21(17)28/h3-14H,1-2H3,(H,29,33)(H,31,34)/b22-12-
InChIKeyYOWRCQCEUWXHQV-UUYOSTAYSA-N
MW523.38 g/mol
LogP4.94
Rot. Bonds6

About 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide

4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide (PubChem CID 5472047) has the molecular formula C26H20Cl2N4O4 and a molecular weight of 523.38 g/mol. Its IUPAC name is 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide
PubChem CID5472047
Molecular FormulaC26H20Cl2N4O4
Molecular Weight523.38 g/mol
Exact Mass522.09
IUPAC Name4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)N=C1c1ccccc1
InChIInChI=1S/C26H20Cl2N4O4/c1-15(33)29-19-10-11-20(23(14-19)36-2)25(34)31-32-24(16-6-4-3-5-7-16)30-22(26(32)35)12-17-8-9-18(27)13-21(17)28/h3-14H,1-2H3,(H,29,33)(H,31,34)/b22-12-
InChIKeyYOWRCQCEUWXHQV-UUYOSTAYSA-N
XLogP4.94
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.38
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide
CID 5472082
N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
CID 3895481
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
2-chloro-N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2-methoxyphenyl]benzamide
CID 17117613
(5E)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003167
2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
CID 10622588
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate
CID 86575054
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] (2S)-2-acetamido-3-phenylpropanoate
CID 50907950
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one
CID 6103653

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide?
The IUPAC name of 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide (CID 5472047) is 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide is COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)N=C1c1ccccc1.
What is the InChIKey of 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide?
The InChIKey is YOWRCQCEUWXHQV-UUYOSTAYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O4/c1-15(33)29-19-10-11-20(23(14-19)36-2)25(34)31-32-24(16-6-4-3-5-7-16)30-22(26(32)35)12-17-8-9-18(27)13-21(17)28/h3-14H,1-2H3,(H,29,33)(H,31,34)/b22-12-.
What are the key properties of 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide?
4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide has a molecular weight of 523.38 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide is sourced from PubChem (CID 5472047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).