3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

C18H17N3OS2 — CID 23734588

IUPAC3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N3OS2/c1-23-13-8-6-12(7-9-13)18-21(17(22)11-24-18)10-16-19-14-4-2-3-5-15(14)20-16/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyXDKLSMZGMBQAON-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.06
Rot. Bonds4

About 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 23734588) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID23734588
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N3OS2/c1-23-13-8-6-12(7-9-13)18-21(17(22)11-24-18)10-16-19-14-4-2-3-5-15(14)20-16/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyXDKLSMZGMBQAON-UHFFFAOYSA-N
XLogP4.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-ylmethyl)-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23738121
3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 23733195
3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one
CID 3684441
2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3864235
3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 5184666
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5080347
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3874642
2-(4-methylsulfanylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
CID 134131493
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 46203768
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one
CID 3721864
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 23734588) is 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is XDKLSMZGMBQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-23-13-8-6-12(7-9-13)18-21(17(22)11-24-18)10-16-19-14-4-2-3-5-15(14)20-16/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 355.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23734588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).