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

C15H11N5OS — CID 2064549

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C15H11N5OS/c1-2-6-12-11(5-1)17-13(18-12)9-22-15-20-19-14(21-15)10-4-3-7-16-8-10/h1-8H,9H2,(H,17,18)
InChIKeyRXYKKLVZROLVME-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.30
Rot. Bonds4

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

2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 2064549) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID2064549
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C15H11N5OS/c1-2-6-12-11(5-1)17-13(18-12)9-22-15-20-19-14(21-15)10-4-3-7-16-8-10/h1-8H,9H2,(H,17,18)
InChIKeyRXYKKLVZROLVME-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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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 2064549) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is RXYKKLVZROLVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-2-6-12-11(5-1)17-13(18-12)9-22-15-20-19-14(21-15)10-4-3-7-16-8-10/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-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-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2064549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).