2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole

C12H16N2S2 — CID 121015750

IUPAC2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole
SMILESCCC(C)(C)SSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2S2/c1-4-12(2,3)16-15-11-13-9-7-5-6-8-10(9)14-11/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyWZASIQCUUCNHIZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP4.49
Rot. Bonds4

About 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole

2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole (PubChem CID 121015750) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole
PubChem CID121015750
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole
SMILESCCC(C)(C)SSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2S2/c1-4-12(2,3)16-15-11-13-9-7-5-6-8-10(9)14-11/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyWZASIQCUUCNHIZ-UHFFFAOYSA-N
XLogP4.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-2-methylbutan-2-ol
CID 79175690
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2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine
CID 106713292
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64621295
[3-(1H-benzimidazol-2-ylsulfanyl)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 59319740
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 62582637

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole?
The IUPAC name of 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole (CID 121015750) is 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole is CCC(C)(C)SSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole?
The InChIKey is WZASIQCUUCNHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-4-12(2,3)16-15-11-13-9-7-5-6-8-10(9)14-11/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole?
2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole has a molecular weight of 252.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole is sourced from PubChem (CID 121015750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).