1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole

C15H22N4O2S — CID 1462209

IUPAC1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole
SMILESCCn1c(N2CCN(S(=O)(=O)CC)CC2)nc2ccccc21
InChIInChI=1S/C15H22N4O2S/c1-3-19-14-8-6-5-7-13(14)16-15(19)17-9-11-18(12-10-17)22(20,21)4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyPUGTXQFAVFVOOI-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.53
Rot. Bonds4

About 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole

1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole (PubChem CID 1462209) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole
PubChem CID1462209
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole
SMILESCCn1c(N2CCN(S(=O)(=O)CC)CC2)nc2ccccc21
InChIInChI=1S/C15H22N4O2S/c1-3-19-14-8-6-5-7-13(14)16-15(19)17-9-11-18(12-10-17)22(20,21)4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyPUGTXQFAVFVOOI-UHFFFAOYSA-N
XLogP1.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole (CID 1462209) is 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole is CCn1c(N2CCN(S(=O)(=O)CC)CC2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole?
The InChIKey is PUGTXQFAVFVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-3-19-14-8-6-5-7-13(14)16-15(19)17-9-11-18(12-10-17)22(20,21)4-2/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole?
1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole has a molecular weight of 322.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 1462209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).