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

C30H18N4OS — CID 126749700

IUPAC7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4occn4c3c2)c1
InChIInChI=1S/C30H18N4OS/c1-3-19(15-21(5-1)23-7-9-25-27(17-23)33-11-13-35-29(33)31-25)20-4-2-6-22(16-20)24-8-10-26-28(18-24)34-12-14-36-30(34)32-26/h1-18H
InChIKeyHQFNZEWBOOGOSC-UHFFFAOYSA-N
MW482.57 g/mol
LogP7.94
Rot. Bonds3

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

7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 126749700) has the molecular formula C30H18N4OS and a molecular weight of 482.57 g/mol. Its IUPAC name is 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID126749700
Molecular FormulaC30H18N4OS
Molecular Weight482.57 g/mol
Exact Mass482.12
IUPAC Name7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4occn4c3c2)c1
InChIInChI=1S/C30H18N4OS/c1-3-19(15-21(5-1)23-7-9-25-27(17-23)33-11-13-35-29(33)31-25)20-4-2-6-22(16-20)24-8-10-26-28(18-24)34-12-14-36-30(34)32-26/h1-18H
InChIKeyHQFNZEWBOOGOSC-UHFFFAOYSA-N
XLogP7.94
TPSA47.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (CID 126749700) is 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is c1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4occn4c3c2)c1.
What is the InChIKey of 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is HQFNZEWBOOGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4OS/c1-3-19(15-21(5-1)23-7-9-25-27(17-23)33-11-13-35-29(33)31-25)20-4-2-6-22(16-20)24-8-10-26-28(18-24)34-12-14-36-30(34)32-26/h1-18H.
What are the key properties of 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 482.57 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).