2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole

C12H16N2S — CID 42135960

IUPAC2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
SMILESCC[C@H](C)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2S/c1-3-9(2)8-15-12-13-10-6-4-5-7-11(10)14-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyXPEKZVQAQABDKW-VIFPVBQESA-N
MW220.34 g/mol
LogP3.70
Rot. Bonds4

About 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole

2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole (PubChem CID 42135960) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
PubChem CID42135960
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
SMILESCC[C@H](C)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2S/c1-3-9(2)8-15-12-13-10-6-4-5-7-11(10)14-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyXPEKZVQAQABDKW-VIFPVBQESA-N
XLogP3.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64621295
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
3-(1H-benzimidazol-2-ylsulfanyl)-2-methylpropanenitrile
CID 43242882
3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
CID 2827673
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propan-2-ylamino)propan-2-ol
CID 43166360
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylbutan-2-amine
CID 64621689
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propylamino)propan-2-ol
CID 43166361
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
CID 64621123
1-(1H-benzimidazol-2-ylsulfanyl)-3-butoxypropan-2-ol
CID 107264062

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole?
The IUPAC name of 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole (CID 42135960) is 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole is CC[C@H](C)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole?
The InChIKey is XPEKZVQAQABDKW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2S/c1-3-9(2)8-15-12-13-10-6-4-5-7-11(10)14-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole?
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole has a molecular weight of 220.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole is sourced from PubChem (CID 42135960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).