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

C13H10N4S — CID 4874232

IUPAC4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESCn1c2ccccc2n2nc(-c3cccs3)nc12
InChIInChI=1S/C13H10N4S/c1-16-9-5-2-3-6-10(9)17-13(16)14-12(15-17)11-7-4-8-18-11/h2-8H,1H3
InChIKeyOFTXIUNVRWEITJ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.95
Rot. Bonds1

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

4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole (PubChem CID 4874232) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole
PubChem CID4874232
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESCn1c2ccccc2n2nc(-c3cccs3)nc12
InChIInChI=1S/C13H10N4S/c1-16-9-5-2-3-6-10(9)17-13(16)14-12(15-17)11-7-4-8-18-11/h2-8H,1H3
InChIKeyOFTXIUNVRWEITJ-UHFFFAOYSA-N
XLogP2.95
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole?
The IUPAC name of 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole (CID 4874232) is 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole is Cn1c2ccccc2n2nc(-c3cccs3)nc12.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole?
The InChIKey is OFTXIUNVRWEITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-16-9-5-2-3-6-10(9)17-13(16)14-12(15-17)11-7-4-8-18-11/h2-8H,1H3.
What are the key properties of 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole?
4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole has a molecular weight of 254.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole is sourced from PubChem (CID 4874232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).