2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide

C24H20Cl2N4O4 — CID 172676416

IUPAC2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2CC(=O)NN=Cc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C24H20Cl2N4O4/c1-33-16-6-4-15(5-7-16)24-28-19-10-17(25)18(26)11-20(19)30(24)13-23(32)29-27-12-14-3-8-22(34-2)21(31)9-14/h3-12,31H,13H2,1-2H3,(H,29,32)
InChIKeyLFSKCIYEZQNDRD-UHFFFAOYSA-N
MW499.35 g/mol
LogP4.88
Rot. Bonds7

About 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide

2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 172676416) has the molecular formula C24H20Cl2N4O4 and a molecular weight of 499.35 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
PubChem CID172676416
Molecular FormulaC24H20Cl2N4O4
Molecular Weight499.35 g/mol
Exact Mass498.09
IUPAC Name2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2CC(=O)NN=Cc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C24H20Cl2N4O4/c1-33-16-6-4-15(5-7-16)24-28-19-10-17(25)18(26)11-20(19)30(24)13-23(32)29-27-12-14-3-8-22(34-2)21(31)9-14/h3-12,31H,13H2,1-2H3,(H,29,32)
InChIKeyLFSKCIYEZQNDRD-UHFFFAOYSA-N
XLogP4.88
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.35
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide 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

2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 172676394
methyl 2-[5-[[[2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 172676460
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5404952
2-(benzimidazol-1-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17086257
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 135613980
1-ethyl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 6902346
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 127033876
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 5433687
4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5012984

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (CID 172676416) is 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2CC(=O)NN=Cc2ccc(OC)c(O)c2)cc1.
What is the InChIKey of 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is LFSKCIYEZQNDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4/c1-33-16-6-4-15(5-7-16)24-28-19-10-17(25)18(26)11-20(19)30(24)13-23(32)29-27-12-14-3-8-22(34-2)21(31)9-14/h3-12,31H,13H2,1-2H3,(H,29,32).
What are the key properties of 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 499.35 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 172676416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).