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

C31H25ClN4O3S — CID 57331812

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NN1C(=O)CSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H25ClN4O3S/c32-24-14-10-22(11-15-24)30-33-26-8-4-5-9-27(26)35(30)18-28(37)34-36-29(38)20-40-31(36)23-12-16-25(17-13-23)39-19-21-6-2-1-3-7-21/h1-17,31H,18-20H2,(H,34,37)
InChIKeyQCALFXVCWRYYFX-UHFFFAOYSA-N
MW569.09 g/mol
LogP6.24
Rot. Bonds8

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

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide (PubChem CID 57331812) has the molecular formula C31H25ClN4O3S and a molecular weight of 569.09 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide
PubChem CID57331812
Molecular FormulaC31H25ClN4O3S
Molecular Weight569.09 g/mol
Exact Mass568.13
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NN1C(=O)CSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H25ClN4O3S/c32-24-14-10-22(11-15-24)30-33-26-8-4-5-9-27(26)35(30)18-28(37)34-36-29(38)20-40-31(36)23-12-16-25(17-13-23)39-19-21-6-2-1-3-7-21/h1-17,31H,18-20H2,(H,34,37)
InChIKeyQCALFXVCWRYYFX-UHFFFAOYSA-N
XLogP6.24
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.09
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 57331816
2-carbazol-9-yl-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 10812585
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
CID 71596064
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10671957
2-(6-chloro-3-methylindazol-1-yl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11582799
2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11664742
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11024209
benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 4987875
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide (CID 57331812) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide is O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NN1C(=O)CSC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is QCALFXVCWRYYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN4O3S/c32-24-14-10-22(11-15-24)30-33-26-8-4-5-9-27(26)35(30)18-28(37)34-36-29(38)20-40-31(36)23-12-16-25(17-13-23)39-19-21-6-2-1-3-7-21/h1-17,31H,18-20H2,(H,34,37).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 569.09 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 57331812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).