2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole

C15H11N3S — CID 21452395

IUPAC2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole
SMILESCc1ccc(-c2nc3nc4ccccc4n3s2)cc1
InChIInChI=1S/C15H11N3S/c1-10-6-8-11(9-7-10)14-17-15-16-12-4-2-3-5-13(12)18(15)19-14/h2-9H,1H3
InChIKeyVHZGNHFQJDJJHU-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.92
Rot. Bonds1

About 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole

2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole (PubChem CID 21452395) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole
PubChem CID21452395
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole
SMILESCc1ccc(-c2nc3nc4ccccc4n3s2)cc1
InChIInChI=1S/C15H11N3S/c1-10-6-8-11(9-7-10)14-17-15-16-12-4-2-3-5-13(12)18(15)19-14/h2-9H,1H3
InChIKeyVHZGNHFQJDJJHU-UHFFFAOYSA-N
XLogP3.92
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole?
The IUPAC name of 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole (CID 21452395) is 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole?
The canonical SMILES for 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole is Cc1ccc(-c2nc3nc4ccccc4n3s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole?
The InChIKey is VHZGNHFQJDJJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-10-6-8-11(9-7-10)14-17-15-16-12-4-2-3-5-13(12)18(15)19-14/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole?
2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole has a molecular weight of 265.34 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole is sourced from PubChem (CID 21452395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).