(2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one

C11H9N3OS — CID 135722677

IUPAC(2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=C/c2nc3ccccc3[nH]2)N1
InChIInChI=1S/C11H9N3OS/c15-10-6-16-11(14-10)5-9-12-7-3-1-2-4-8(7)13-9/h1-5H,6H2,(H,12,13)(H,14,15)/b11-5+
InChIKeyYKQJVZLXDUNAMC-VZUCSPMQSA-N
MW231.28 g/mol
LogP1.72
Rot. Bonds1

About (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one

(2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135722677) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135722677
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name(2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=C/c2nc3ccccc3[nH]2)N1
InChIInChI=1S/C11H9N3OS/c15-10-6-16-11(14-10)5-9-12-7-3-1-2-4-8(7)13-9/h1-5H,6H2,(H,12,13)(H,14,15)/b11-5+
InChIKeyYKQJVZLXDUNAMC-VZUCSPMQSA-N
XLogP1.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135722677) is (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=C/c2nc3ccccc3[nH]2)N1.
What is the InChIKey of (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is YKQJVZLXDUNAMC-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-10-6-16-11(14-10)5-9-12-7-3-1-2-4-8(7)13-9/h1-5H,6H2,(H,12,13)(H,14,15)/b11-5+.
What are the key properties of (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 231.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1H-benzimidazol-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135722677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).