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

C19H16N4OS — CID 23733195

IUPAC3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c[nH]c3ccccc23)N1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N4OS/c24-18-11-25-19(13-9-20-14-6-2-1-5-12(13)14)23(18)10-17-21-15-7-3-4-8-16(15)22-17/h1-9,19-20H,10-11H2,(H,21,22)
InChIKeyHIEVRWOKXOLKGV-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.82
Rot. Bonds3

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

3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one (PubChem CID 23733195) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
PubChem CID23733195
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c[nH]c3ccccc23)N1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N4OS/c24-18-11-25-19(13-9-20-14-6-2-1-5-12(13)14)23(18)10-17-21-15-7-3-4-8-16(15)22-17/h1-9,19-20H,10-11H2,(H,21,22)
InChIKeyHIEVRWOKXOLKGV-UHFFFAOYSA-N
XLogP3.82
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one (CID 23733195) is 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2c[nH]c3ccccc23)N1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is HIEVRWOKXOLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18-11-25-19(13-9-20-14-6-2-1-5-12(13)14)23(18)10-17-21-15-7-3-4-8-16(15)22-17/h1-9,19-20H,10-11H2,(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one?
3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 348.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23733195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).