4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

C28H26N4O2S — CID 92681190

IUPAC4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N4O2S/c1-20-29-15-16-31(20)25-13-7-21(8-14-25)17-30-27(34)23-9-11-24(12-10-23)28-32(26(33)19-35-28)18-22-5-3-2-4-6-22/h2-16,28H,17-19H2,1H3,(H,30,34)/t28-/m1/s1
InChIKeyOGVURBRJESLOQW-MUUNZHRXSA-N
MW482.61 g/mol
LogP4.88
Rot. Bonds7

About 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (PubChem CID 92681190) has the molecular formula C28H26N4O2S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
PubChem CID92681190
Molecular FormulaC28H26N4O2S
Molecular Weight482.61 g/mol
Exact Mass482.18
IUPAC Name4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N4O2S/c1-20-29-15-16-31(20)25-13-7-21(8-14-25)17-30-27(34)23-9-11-24(12-10-23)28-32(26(33)19-35-28)18-22-5-3-2-4-6-22/h2-16,28H,17-19H2,1H3,(H,30,34)/t28-/m1/s1
InChIKeyOGVURBRJESLOQW-MUUNZHRXSA-N
XLogP4.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 5008223
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94019723
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentylbenzamide
CID 40560076
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylphenyl)benzamide
CID 1245454
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (CID 92681190) is 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is Cc1nccn1-c1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is OGVURBRJESLOQW-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H26N4O2S/c1-20-29-15-16-31(20)25-13-7-21(8-14-25)17-30-27(34)23-9-11-24(12-10-23)28-32(26(33)19-35-28)18-22-5-3-2-4-6-22/h2-16,28H,17-19H2,1H3,(H,30,34)/t28-/m1/s1.
What are the key properties of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 482.61 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 92681190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).