1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone

C19H20N4O3S — CID 2113223

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N4O3S/c24-19(14-22-15-20-17-8-4-5-9-18(17)22)21-10-12-23(13-11-21)27(25,26)16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKeyHVSIURGPLKMORR-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.57
Rot. Bonds4

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone (PubChem CID 2113223) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone
PubChem CID2113223
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N4O3S/c24-19(14-22-15-20-17-8-4-5-9-18(17)22)21-10-12-23(13-11-21)27(25,26)16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKeyHVSIURGPLKMORR-UHFFFAOYSA-N
XLogP1.57
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone (CID 2113223) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone is O=C(Cn1cnc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone?
The InChIKey is HVSIURGPLKMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(14-22-15-20-17-8-4-5-9-18(17)22)21-10-12-23(13-11-21)27(25,26)16-6-2-1-3-7-16/h1-9,15H,10-14H2.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone has a molecular weight of 384.46 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone is sourced from PubChem (CID 2113223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).