2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole

C11H10N4OS — CID 25024480

IUPAC2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C11H10N4OS/c1-2-17-11-15-14-10(16-11)7-3-4-8-9(5-7)13-6-12-8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyQFCSGTKJHJMJDR-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.72
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole

2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole (PubChem CID 25024480) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole
PubChem CID25024480
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C11H10N4OS/c1-2-17-11-15-14-10(16-11)7-3-4-8-9(5-7)13-6-12-8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyQFCSGTKJHJMJDR-UHFFFAOYSA-N
XLogP2.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole (CID 25024480) is 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole is CCSc1nnc(-c2ccc3nc[nH]c3c2)o1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole?
The InChIKey is QFCSGTKJHJMJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-2-17-11-15-14-10(16-11)7-3-4-8-9(5-7)13-6-12-8/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole has a molecular weight of 246.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-ethylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 25024480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).