2-methyl-1-piperazin-1-ylsulfonylbenzimidazole

C12H16N4O2S — CID 84760725

IUPAC2-methyl-1-piperazin-1-ylsulfonylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H16N4O2S/c1-10-14-11-4-2-3-5-12(11)16(10)19(17,18)15-8-6-13-7-9-15/h2-5,13H,6-9H2,1H3
InChIKeyHACMLDOUPXYKDE-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.34
Rot. Bonds2

About 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole

2-methyl-1-piperazin-1-ylsulfonylbenzimidazole (PubChem CID 84760725) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-ylsulfonylbenzimidazole
PubChem CID84760725
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-methyl-1-piperazin-1-ylsulfonylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H16N4O2S/c1-10-14-11-4-2-3-5-12(11)16(10)19(17,18)15-8-6-13-7-9-15/h2-5,13H,6-9H2,1H3
InChIKeyHACMLDOUPXYKDE-UHFFFAOYSA-N
XLogP0.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole?
The IUPAC name of 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole (CID 84760725) is 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole.
What is the SMILES notation for 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole?
The canonical SMILES for 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole is Cc1nc2ccccc2n1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole?
The InChIKey is HACMLDOUPXYKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-10-14-11-4-2-3-5-12(11)16(10)19(17,18)15-8-6-13-7-9-15/h2-5,13H,6-9H2,1H3.
What are the key properties of 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole?
2-methyl-1-piperazin-1-ylsulfonylbenzimidazole has a molecular weight of 280.35 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-ylsulfonylbenzimidazole is sourced from PubChem (CID 84760725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).