2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole

C33H18N6OS3 — CID 126749884

IUPAC2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4sccn4c3c2)cc(-c2ccc3nc4sc(Oc5cn6c(nc7ccccc76)s5)cn4c3c2)c1
InChIInChI=1S/C33H18N6OS3/c1-2-7-26-23(6-1)35-32-38(26)17-29(42-32)40-30-18-39-28-16-22(9-11-25(28)36-33(39)43-30)20-5-3-4-19(14-20)21-8-10-24-27(15-21)37-12-13-41-31(37)34-24/h1-18H
InChIKeyJZFGIQDSVJLFFU-UHFFFAOYSA-N
MW610.75 g/mol
LogP9.40
Rot. Bonds4

About 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole

2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 126749884) has the molecular formula C33H18N6OS3 and a molecular weight of 610.75 g/mol. Its IUPAC name is 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID126749884
Molecular FormulaC33H18N6OS3
Molecular Weight610.75 g/mol
Exact Mass610.07
IUPAC Name2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4sccn4c3c2)cc(-c2ccc3nc4sc(Oc5cn6c(nc7ccccc76)s5)cn4c3c2)c1
InChIInChI=1S/C33H18N6OS3/c1-2-7-26-23(6-1)35-32-38(26)17-29(42-32)40-30-18-39-28-16-22(9-11-25(28)36-33(39)43-30)20-5-3-4-19(14-20)21-8-10-24-27(15-21)37-12-13-41-31(37)34-24/h1-18H
InChIKeyJZFGIQDSVJLFFU-UHFFFAOYSA-N
XLogP9.40
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.75
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole (CID 126749884) is 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole is c1cc(-c2ccc3nc4sccn4c3c2)cc(-c2ccc3nc4sc(Oc5cn6c(nc7ccccc76)s5)cn4c3c2)c1.
What is the InChIKey of 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is JZFGIQDSVJLFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N6OS3/c1-2-7-26-23(6-1)35-32-38(26)17-29(42-32)40-30-18-39-28-16-22(9-11-25(28)36-33(39)43-30)20-5-3-4-19(14-20)21-8-10-24-27(15-21)37-12-13-41-31(37)34-24/h1-18H.
What are the key properties of 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 610.75 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]thiazolo[3,2-a]benzimidazol-2-yloxy)-7-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).