2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole

C13H18N4O2S — CID 22272600

IUPAC2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole
SMILESO=S(=O)(CCN1CCNCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O2S/c18-20(19,10-9-17-7-5-14-6-8-17)13-15-11-3-1-2-4-12(11)16-13/h1-4,14H,5-10H2,(H,15,16)
InChIKeyAYYOOKBPQDPXKM-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.24
Rot. Bonds4

About 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole

2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole (PubChem CID 22272600) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole
PubChem CID22272600
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole
SMILESO=S(=O)(CCN1CCNCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O2S/c18-20(19,10-9-17-7-5-14-6-8-17)13-15-11-3-1-2-4-12(11)16-13/h1-4,14H,5-10H2,(H,15,16)
InChIKeyAYYOOKBPQDPXKM-UHFFFAOYSA-N
XLogP0.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride
CID 10384617
2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole
CID 71639600
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]-1H-benzimidazole
CID 97166022
2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
CID 97165961
2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;bis(2,2,2-trifluoroacetic acid)
CID 22272817
N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide
CID 71645830
N,N-dimethyl-1H-benzimidazole-2-sulfonamide
CID 23041875
1H-benzimidazol-2-yl(trimethyl)-λ4-sulfane
CID 123457333
1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine
CID 98035714
2-piperazin-1-ylethanesulfonamide
CID 54595802
1-[2-(4-bromophenyl)sulfonylethyl]-1,4-diazepane
CID 43162521

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole?
The IUPAC name of 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole (CID 22272600) is 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole is O=S(=O)(CCN1CCNCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole?
The InChIKey is AYYOOKBPQDPXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-20(19,10-9-17-7-5-14-6-8-17)13-15-11-3-1-2-4-12(11)16-13/h1-4,14H,5-10H2,(H,15,16).
What are the key properties of 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole?
2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole has a molecular weight of 294.38 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole is sourced from PubChem (CID 22272600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).