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

C14H10N4O2S — CID 659826

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C14H10N4O2S/c1-2-5-10-9(4-1)15-12(16-10)8-21-14-18-17-13(20-14)11-6-3-7-19-11/h1-7H,8H2,(H,15,16)
InChIKeyRHWPSYCVYIBJBI-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.50
Rot. Bonds4

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

2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 659826) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID659826
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C14H10N4O2S/c1-2-5-10-9(4-1)15-12(16-10)8-21-14-18-17-13(20-14)11-6-3-7-19-11/h1-7H,8H2,(H,15,16)
InChIKeyRHWPSYCVYIBJBI-UHFFFAOYSA-N
XLogP3.50
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole (CID 659826) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole is c1coc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is RHWPSYCVYIBJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-2-5-10-9(4-1)15-12(16-10)8-21-14-18-17-13(20-14)11-6-3-7-19-11/h1-7H,8H2,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 298.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 659826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).