5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole

C13H14N4OS — CID 47148255

IUPAC5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H14N4OS/c1-3-11-16-12(18-17-11)8(2)19-13-14-9-6-4-5-7-10(9)15-13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyVERRCTVNKRSRCX-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.36
Rot. Bonds4

About 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole

5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 47148255) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID47148255
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H14N4OS/c1-3-11-16-12(18-17-11)8(2)19-13-14-9-6-4-5-7-10(9)15-13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyVERRCTVNKRSRCX-UHFFFAOYSA-N
XLogP3.36
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 35163043
N-[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63640674
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
CID 30469751
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63639809
2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 137303295
5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 25417374
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine
CID 64703066
(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915286
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 63637550
3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 42955584

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole (CID 47148255) is 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(C(C)Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is VERRCTVNKRSRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-3-11-16-12(18-17-11)8(2)19-13-14-9-6-4-5-7-10(9)15-13/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole?
5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 274.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 47148255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).