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

C30H18N4S2 — CID 126749711

IUPAC7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4sccn4c3c2)c1
InChIInChI=1S/C30H18N4S2/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
InChIKeyIARWECYRNFNLDE-UHFFFAOYSA-N
MW498.64 g/mol
LogP8.41
Rot. Bonds3

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

7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 126749711) has the molecular formula C30H18N4S2 and a molecular weight of 498.64 g/mol. Its IUPAC name is 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID126749711
Molecular FormulaC30H18N4S2
Molecular Weight498.64 g/mol
Exact Mass498.10
IUPAC Name7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4sccn4c3c2)c1
InChIInChI=1S/C30H18N4S2/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
InChIKeyIARWECYRNFNLDE-UHFFFAOYSA-N
XLogP8.41
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.64
LogP ≤ 58.41
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]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole (CID 126749711) is 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[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]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole is c1cc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc(-c2ccc3nc4sccn4c3c2)c1.
What is the InChIKey of 7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is IARWECYRNFNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4S2/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]thiazolo[3,2-a]benzimidazole?
7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 498.64 g/mol, XLogP of 8.41, 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]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).