1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole

C18H20N4O2S — CID 46203710

IUPAC1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole
SMILESCc1nc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
InChIKeyMAYQIFVKVAUMPD-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.99
Rot. Bonds3

About 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole

1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole (PubChem CID 46203710) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole
PubChem CID46203710
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole
SMILESCc1nc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
InChIKeyMAYQIFVKVAUMPD-UHFFFAOYSA-N
XLogP1.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole (CID 46203710) is 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole is Cc1nc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole?
The InChIKey is MAYQIFVKVAUMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole?
1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole has a molecular weight of 356.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 46203710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).