2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole

C12H16N4O2S — CID 71639600

IUPAC2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole
SMILESCC1CNCCN1S(=O)(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O2S/c1-9-8-13-6-7-16(9)19(17,18)12-14-10-4-2-3-5-11(10)15-12/h2-5,9,13H,6-8H2,1H3,(H,14,15)
InChIKeyBACZPTTZRDFNSW-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.55
Rot. Bonds2

About 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole

2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole (PubChem CID 71639600) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole
PubChem CID71639600
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole
SMILESCC1CNCCN1S(=O)(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O2S/c1-9-8-13-6-7-16(9)19(17,18)12-14-10-4-2-3-5-11(10)15-12/h2-5,9,13H,6-8H2,1H3,(H,14,15)
InChIKeyBACZPTTZRDFNSW-UHFFFAOYSA-N
XLogP0.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole
CID 44783462
(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride
CID 120717041
N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide
CID 71645830
2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole
CID 22272600
methyl 2-[(2S)-2-methylpiperazin-1-yl]sulfonylbenzoate
CID 82756367
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]-1H-benzimidazole
CID 97166022
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 82756064
2-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperazine
CID 104710234

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole?
The IUPAC name of 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole (CID 71639600) is 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole is CC1CNCCN1S(=O)(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole?
The InChIKey is BACZPTTZRDFNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-8-13-6-7-16(9)19(17,18)12-14-10-4-2-3-5-11(10)15-12/h2-5,9,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole?
2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole has a molecular weight of 280.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole is sourced from PubChem (CID 71639600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).