5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole

C14H16N4OS — CID 30469751

IUPAC5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
SMILESCCCCc1noc(CSc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H16N4OS/c1-2-3-8-12-17-13(19-18-12)9-20-14-15-10-6-4-5-7-11(10)16-14/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyQIQPNZBIWFKZBP-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.58
Rot. Bonds6

About 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole

5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole (PubChem CID 30469751) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
PubChem CID30469751
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
SMILESCCCCc1noc(CSc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H16N4OS/c1-2-3-8-12-17-13(19-18-12)9-20-14-15-10-6-4-5-7-11(10)16-14/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyQIQPNZBIWFKZBP-UHFFFAOYSA-N
XLogP3.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43249039
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 16595185
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 115979966
3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 71296603
3-butyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 24650903
5-(benzylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
CID 78846456
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
3-butyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 78846380
3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)propanamide
CID 50811738
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 62582637

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole (CID 30469751) is 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole is CCCCc1noc(CSc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole?
The InChIKey is QIQPNZBIWFKZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-3-8-12-17-13(19-18-12)9-20-14-15-10-6-4-5-7-11(10)16-14/h4-7H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole?
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole has a molecular weight of 288.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole is sourced from PubChem (CID 30469751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).