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

C15H11N5OS — CID 59799861

IUPAC2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3ccc4nc[nH]c4c3)o2)nc1
InChIInChI=1S/C15H11N5OS/c1-2-6-16-11(3-1)8-22-15-20-19-14(21-15)10-4-5-12-13(7-10)18-9-17-12/h1-7,9H,8H2,(H,17,18)
InChIKeyIKEFLJSFEMPGQF-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.30
Rot. Bonds4

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

2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 59799861) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID59799861
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3ccc4nc[nH]c4c3)o2)nc1
InChIInChI=1S/C15H11N5OS/c1-2-6-16-11(3-1)8-22-15-20-19-14(21-15)10-4-5-12-13(7-10)18-9-17-12/h1-7,9H,8H2,(H,17,18)
InChIKeyIKEFLJSFEMPGQF-UHFFFAOYSA-N
XLogP3.30
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-6-[5-[[3-(trifluoromethyl)benzyl]thio]-1,3,4-oxadiazol-2-yl]-1H-benzimidazole
CID 44590565
1H-Benzimidazole, 2-(((5-phenyl-1,3,4-oxadiazol-2-yl)thio)methyl)-
CID 156524
1H-Benzimidazole, 2-(((5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl)thio)methyl)-
CID 156525
5-(5-(Benzylthio)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 1467864
5-(5-((Naphthalen-2-yl)methylthio)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 25024285
5-(5-Phenethyl-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433214
2-(3H-benzimidazol-5-yl)-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
CID 58433229
2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole
CID 58433250
5-(5-(2,4-Difluorophenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433261
2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 2064549
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 2084268
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 2998168

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 59799861) is 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole is c1ccc(CSc2nnc(-c3ccc4nc[nH]c4c3)o2)nc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is IKEFLJSFEMPGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-2-6-16-11(3-1)8-22-15-20-19-14(21-15)10-4-5-12-13(7-10)18-9-17-12/h1-7,9H,8H2,(H,17,18).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 309.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59799861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).