3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole

C26H14N8OS3 — CID 141223555

IUPAC3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
SMILESc1ccc2sc(-c3c(-c4nccs4)c(-c4ccon4)c4nc(-c5ncc[nH]5)[nH]c4c3-c3ccsn3)nc2c1
InChIInChI=1S/C26H14N8OS3/c1-2-4-16-13(3-1)30-26(38-16)20-18(15-6-11-37-34-15)22-21(31-24(32-22)23-27-7-8-28-23)17(14-5-10-35-33-14)19(20)25-29-9-12-36-25/h1-12H,(H,27,28)(H,31,32)
InChIKeyCGDJOEWNVOJNEW-UHFFFAOYSA-N
MW550.65 g/mol
LogP7.13
Rot. Bonds5

About 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole

3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole (PubChem CID 141223555) has the molecular formula C26H14N8OS3 and a molecular weight of 550.65 g/mol. Its IUPAC name is 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
PubChem CID141223555
Molecular FormulaC26H14N8OS3
Molecular Weight550.65 g/mol
Exact Mass550.05
IUPAC Name3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
SMILESc1ccc2sc(-c3c(-c4nccs4)c(-c4ccon4)c4nc(-c5ncc[nH]5)[nH]c4c3-c3ccsn3)nc2c1
InChIInChI=1S/C26H14N8OS3/c1-2-4-16-13(3-1)30-26(38-16)20-18(15-6-11-37-34-15)22-21(31-24(32-22)23-27-7-8-28-23)17(14-5-10-35-33-14)19(20)25-29-9-12-36-25/h1-12H,(H,27,28)(H,31,32)
InChIKeyCGDJOEWNVOJNEW-UHFFFAOYSA-N
XLogP7.13
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.65
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole with MolForge

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Related Compounds

4-[7-(1,3-benzothiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 121293165
3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole
CID 140977162
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole
CID 141069864
4-[7-(1,3-benzothiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 160576973

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole (CID 141223555) is 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole is c1ccc2sc(-c3c(-c4nccs4)c(-c4ccon4)c4nc(-c5ncc[nH]5)[nH]c4c3-c3ccsn3)nc2c1.
What is the InChIKey of 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole?
The InChIKey is CGDJOEWNVOJNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N8OS3/c1-2-4-16-13(3-1)30-26(38-16)20-18(15-6-11-37-34-15)22-21(31-24(32-22)23-27-7-8-28-23)17(14-5-10-35-33-14)19(20)25-29-9-12-36-25/h1-12H,(H,27,28)(H,31,32).
What are the key properties of 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole?
3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole has a molecular weight of 550.65 g/mol, XLogP of 7.13, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 141223555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).