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

C23H18Cl2N4O3 — CID 172676394

IUPAC2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2CC(=O)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C23H18Cl2N4O3/c1-32-17-8-4-15(5-9-17)23-27-20-10-18(24)19(25)11-21(20)29(23)13-22(31)28-26-12-14-2-6-16(30)7-3-14/h2-12,30H,13H2,1H3,(H,28,31)
InChIKeyAEWVXXKJDLDRRK-UHFFFAOYSA-N
MW469.33 g/mol
LogP4.87
Rot. Bonds6

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

2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 172676394) has the molecular formula C23H18Cl2N4O3 and a molecular weight of 469.33 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID172676394
Molecular FormulaC23H18Cl2N4O3
Molecular Weight469.33 g/mol
Exact Mass468.08
IUPAC Name2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2CC(=O)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C23H18Cl2N4O3/c1-32-17-8-4-15(5-9-17)23-27-20-10-18(24)19(25)11-21(20)29(23)13-22(31)28-26-12-14-2-6-16(30)7-3-14/h2-12,30H,13H2,1H3,(H,28,31)
InChIKeyAEWVXXKJDLDRRK-UHFFFAOYSA-N
XLogP4.87
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 172676416
methyl 2-[5-[[[2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 172676460
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
4-[[[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid
CID 171057667
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
ethyl 1-[2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxylate
CID 11697608
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide (CID 172676394) is 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide is COc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2CC(=O)NN=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is AEWVXXKJDLDRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3/c1-32-17-8-4-15(5-9-17)23-27-20-10-18(24)19(25)11-21(20)29(23)13-22(31)28-26-12-14-2-6-16(30)7-3-14/h2-12,30H,13H2,1H3,(H,28,31).
What are the key properties of 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 469.33 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 172676394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).