2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole

C16H23N3O2S — CID 129424088

IUPAC2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole
SMILESCC[C@H](C)CS(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C16H23N3O2S/c1-3-12(2)11-22(20,21)19-10-6-9-15(19)16-17-13-7-4-5-8-14(13)18-16/h4-5,7-8,12,15H,3,6,9-11H2,1-2H3,(H,17,18)/t12-,15-/m0/s1
InChIKeySKRVCNNPZCPHOG-WFASDCNBSA-N
MW321.45 g/mol
LogP3.08
Rot. Bonds5

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

2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 129424088) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole
PubChem CID129424088
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole
SMILESCC[C@H](C)CS(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C16H23N3O2S/c1-3-12(2)11-22(20,21)19-10-6-9-15(19)16-17-13-7-4-5-8-14(13)18-16/h4-5,7-8,12,15H,3,6,9-11H2,1-2H3,(H,17,18)/t12-,15-/m0/s1
InChIKeySKRVCNNPZCPHOG-WFASDCNBSA-N
XLogP3.08
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456
2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole
CID 44783462
2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 55681666
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 40920974
propyl 4-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate
CID 86886087
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(4-pyrimidin-5-ylphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 171916398
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
CID 95828932
2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 40920952
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 25405008

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole (CID 129424088) is 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole is CC[C@H](C)CS(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is SKRVCNNPZCPHOG-WFASDCNBSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-12(2)11-22(20,21)19-10-6-9-15(19)16-17-13-7-4-5-8-14(13)18-16/h4-5,7-8,12,15H,3,6,9-11H2,1-2H3,(H,17,18)/t12-,15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 321.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 129424088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).