7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole

C21H14N2S — CID 126749606

IUPAC7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1ccc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc1
InChIInChI=1S/C21H14N2S/c1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-19-20(14-18)23-11-12-24-21(23)22-19/h1-14H
InChIKeyWLOUTDGVCNKZNG-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.88
Rot. Bonds2

About 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole

7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 126749606) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID126749606
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1ccc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc1
InChIInChI=1S/C21H14N2S/c1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-19-20(14-18)23-11-12-24-21(23)22-19/h1-14H
InChIKeyWLOUTDGVCNKZNG-UHFFFAOYSA-N
XLogP5.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole (CID 126749606) is 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole is c1ccc(-c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc1.
What is the InChIKey of 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is WLOUTDGVCNKZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-19-20(14-18)23-11-12-24-21(23)22-19/h1-14H.
What are the key properties of 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole?
7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 326.42 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).