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

C16H12N4O3S — CID 58433250

IUPAC2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccc3nc[nH]c3c2)o1)c1ccccc1
InChIInChI=1S/C16H12N4O3S/c21-24(22,12-4-2-1-3-5-12)9-15-19-20-16(23-15)11-6-7-13-14(8-11)18-10-17-13/h1-8,10H,9H2,(H,17,18)
InChIKeyUPDRYRAYBYUUKL-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.59
Rot. Bonds4

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

2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole (PubChem CID 58433250) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole
PubChem CID58433250
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccc3nc[nH]c3c2)o1)c1ccccc1
InChIInChI=1S/C16H12N4O3S/c21-24(22,12-4-2-1-3-5-12)9-15-19-20-16(23-15)11-6-7-13-14(8-11)18-10-17-13/h1-8,10H,9H2,(H,17,18)
InChIKeyUPDRYRAYBYUUKL-UHFFFAOYSA-N
XLogP2.59
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole (CID 58433250) is 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole is O=S(=O)(Cc1nnc(-c2ccc3nc[nH]c3c2)o1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is UPDRYRAYBYUUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-24(22,12-4-2-1-3-5-12)9-15-19-20-16(23-15)11-6-7-13-14(8-11)18-10-17-13/h1-8,10H,9H2,(H,17,18).
What are the key properties of 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole?
2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 340.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 58433250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).