5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

C19H22N4O3S — CID 110642516

IUPAC5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccccc1CS(=O)(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C19H22N4O3S/c1-14-4-2-3-5-15(14)13-27(25,26)23-10-8-22(9-11-23)16-6-7-17-18(12-16)21-19(24)20-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21,24)
InChIKeyUOGJHADYJDJJGB-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.82
Rot. Bonds4

About 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110642516) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110642516
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccccc1CS(=O)(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C19H22N4O3S/c1-14-4-2-3-5-15(14)13-27(25,26)23-10-8-22(9-11-23)16-6-7-17-18(12-16)21-19(24)20-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21,24)
InChIKeyUOGJHADYJDJJGB-UHFFFAOYSA-N
XLogP1.82
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 110642497
5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361301
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
7-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358109
5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642512
N,N-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819070
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110290772
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642429
2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine
CID 110658075
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 110642516) is 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is Cc1ccccc1CS(=O)(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is UOGJHADYJDJJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14-4-2-3-5-15(14)13-27(25,26)23-10-8-22(9-11-23)16-6-7-17-18(12-16)21-19(24)20-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21,24).
What are the key properties of 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 386.48 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110642516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).