2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole

C12H8N4S — CID 883004

IUPAC2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESc1csc(-c2nc3nc4ccccc4n3[nH]2)c1
InChIInChI=1S/C12H8N4S/c1-2-5-9-8(4-1)13-12-14-11(15-16(9)12)10-6-3-7-17-10/h1-7H,(H,13,14,15)
InChIKeyFNIVKPMAGUWRKW-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.94
Rot. Bonds1

About 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole

2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole (PubChem CID 883004) has the molecular formula C12H8N4S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole
PubChem CID883004
Molecular FormulaC12H8N4S
Molecular Weight240.29 g/mol
Exact Mass240.05
IUPAC Name2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESc1csc(-c2nc3nc4ccccc4n3[nH]2)c1
InChIInChI=1S/C12H8N4S/c1-2-5-9-8(4-1)13-12-14-11(15-16(9)12)10-6-3-7-17-10/h1-7H,(H,13,14,15)
InChIKeyFNIVKPMAGUWRKW-UHFFFAOYSA-N
XLogP2.94
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The IUPAC name of 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole (CID 883004) is 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole.
What is the SMILES notation for 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The canonical SMILES for 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole is c1csc(-c2nc3nc4ccccc4n3[nH]2)c1.
What is the InChIKey of 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The InChIKey is FNIVKPMAGUWRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4S/c1-2-5-9-8(4-1)13-12-14-11(15-16(9)12)10-6-3-7-17-10/h1-7H,(H,13,14,15).
What are the key properties of 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole?
2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole has a molecular weight of 240.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazole is sourced from PubChem (CID 883004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).