2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole

C13H10N4O — CID 3876382

IUPAC2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESCn1c2ccccc2n2nc(-c3ccco3)nc12
InChIInChI=1S/C13H10N4O/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
InChIKeyCXSXSLBIDVWLLA-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.48
Rot. Bonds1

About 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole

2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole (PubChem CID 3876382) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole
PubChem CID3876382
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESCn1c2ccccc2n2nc(-c3ccco3)nc12
InChIInChI=1S/C13H10N4O/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
InChIKeyCXSXSLBIDVWLLA-UHFFFAOYSA-N
XLogP2.48
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole?
The IUPAC name of 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole (CID 3876382) is 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole is Cn1c2ccccc2n2nc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole?
The InChIKey is CXSXSLBIDVWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/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 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole?
2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole has a molecular weight of 238.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-[1,2,4]triazolo[1,5-a]benzimidazole is sourced from PubChem (CID 3876382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).