2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole

C19H22N4O2S — CID 24747108

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole
SMILESCCn1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C19H22N4O2S/c1-2-23-18-11-7-6-10-17(18)20-19(23)21-12-14-22(15-13-21)26(24,25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyZNNPKJOURRZEAD-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.57
Rot. Bonds4

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

2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole (PubChem CID 24747108) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole
PubChem CID24747108
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole
SMILESCCn1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C19H22N4O2S/c1-2-23-18-11-7-6-10-17(18)20-19(23)21-12-14-22(15-13-21)26(24,25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyZNNPKJOURRZEAD-UHFFFAOYSA-N
XLogP2.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole (CID 24747108) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole is CCn1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole?
The InChIKey is ZNNPKJOURRZEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-2-23-18-11-7-6-10-17(18)20-19(23)21-12-14-22(15-13-21)26(24,25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole?
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole has a molecular weight of 370.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethylbenzimidazole is sourced from PubChem (CID 24747108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).