2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C24H17Cl3N4O2S — CID 57331816

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NN1C(=O)CSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H17Cl3N4O2S/c25-15-7-5-14(6-8-15)23-28-19-3-1-2-4-20(19)30(23)12-21(32)29-31-22(33)13-34-24(31)17-10-9-16(26)11-18(17)27/h1-11,24H,12-13H2,(H,29,32)
InChIKeyXSHILZYBJGPCAC-UHFFFAOYSA-N
MW531.85 g/mol
LogP5.97
Rot. Bonds5

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 57331816) has the molecular formula C24H17Cl3N4O2S and a molecular weight of 531.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID57331816
Molecular FormulaC24H17Cl3N4O2S
Molecular Weight531.85 g/mol
Exact Mass530.01
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NN1C(=O)CSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H17Cl3N4O2S/c25-15-7-5-14(6-8-15)23-28-19-3-1-2-4-20(19)30(23)12-21(32)29-31-22(33)13-34-24(31)17-10-9-16(26)11-18(17)27/h1-11,24H,12-13H2,(H,29,32)
InChIKeyXSHILZYBJGPCAC-UHFFFAOYSA-N
XLogP5.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.85
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide
CID 57331812
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
CID 71596064
N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10528264
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17033154
1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea
CID 11679114
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 57331816) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NN1C(=O)CSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is XSHILZYBJGPCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3N4O2S/c25-15-7-5-14(6-8-15)23-28-19-3-1-2-4-20(19)30(23)12-21(32)29-31-22(33)13-34-24(31)17-10-9-16(26)11-18(17)27/h1-11,24H,12-13H2,(H,29,32).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 531.85 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 57331816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).