5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one

C13H18N4O3S — CID 110642497

IUPAC5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCCS(=O)(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C13H18N4O3S/c1-2-21(19,20)17-7-5-16(6-8-17)10-3-4-11-12(9-10)15-13(18)14-11/h3-4,9H,2,5-8H2,1H3,(H2,14,15,18)
InChIKeyGWSUYMDNUWPQMG-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.33
Rot. Bonds3

About 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one

5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 110642497) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID110642497
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCCS(=O)(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C13H18N4O3S/c1-2-21(19,20)17-7-5-16(6-8-17)10-3-4-11-12(9-10)15-13(18)14-11/h3-4,9H,2,5-8H2,1H3,(H2,14,15,18)
InChIKeyGWSUYMDNUWPQMG-UHFFFAOYSA-N
XLogP0.33
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642516
5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642512
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642429
5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one
CID 110735990
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
6-chloro-5-[4-[4-(2-methylpropylsulfonyl)piperazin-1-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138567655
5-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110416988
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642459
5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361301
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154591714
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one (CID 110642497) is 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one is CCS(=O)(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GWSUYMDNUWPQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-21(19,20)17-7-5-16(6-8-17)10-3-4-11-12(9-10)15-13(18)14-11/h3-4,9H,2,5-8H2,1H3,(H2,14,15,18).
What are the key properties of 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one?
5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 310.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110642497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).