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

C20H14N4OS — CID 25024285

IUPAC2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc2cc(CSc3nnc(-c4ccc5nc[nH]c5c4)o3)ccc2c1
InChIInChI=1S/C20H14N4OS/c1-2-4-15-9-13(5-6-14(15)3-1)11-26-20-24-23-19(25-20)16-7-8-17-18(10-16)22-12-21-17/h1-10,12H,11H2,(H,21,22)
InChIKeyPMHJKCKTMDELON-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.06
Rot. Bonds4

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

2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 25024285) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID25024285
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc2cc(CSc3nnc(-c4ccc5nc[nH]c5c4)o3)ccc2c1
InChIInChI=1S/C20H14N4OS/c1-2-4-15-9-13(5-6-14(15)3-1)11-26-20-24-23-19(25-20)16-7-8-17-18(10-16)22-12-21-17/h1-10,12H,11H2,(H,21,22)
InChIKeyPMHJKCKTMDELON-UHFFFAOYSA-N
XLogP5.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 25024285) is 2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole is c1ccc2cc(CSc3nnc(-c4ccc5nc[nH]c5c4)o3)ccc2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is PMHJKCKTMDELON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-2-4-15-9-13(5-6-14(15)3-1)11-26-20-24-23-19(25-20)16-7-8-17-18(10-16)22-12-21-17/h1-10,12H,11H2,(H,21,22).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 358.43 g/mol, XLogP of 5.06, 4 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-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 25024285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).