5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

C19H22N4O3S — CID 18524431

IUPAC5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
InChIInChI=1S/C19H22N4O3S/c1-13-3-4-14(2)18(11-13)22-7-9-23(10-8-22)27(25,26)15-5-6-16-17(12-15)21-19(24)20-16/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,24)
InChIKeyYBFLIZWSDJUKFT-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.98
Rot. Bonds3

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

5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 18524431) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID18524431
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
InChIInChI=1S/C19H22N4O3S/c1-13-3-4-14(2)18(11-13)22-7-9-23(10-8-22)27(25,26)15-5-6-16-17(12-15)21-19(24)20-16/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,24)
InChIKeyYBFLIZWSDJUKFT-UHFFFAOYSA-N
XLogP1.98
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20876188
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 2192290
2,6-dimethyl-4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 133396526
5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146146706
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(2,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 5006087
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 20914787
1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 59563961
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3714109
6-methyl-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146125555

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (CID 18524431) is 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c1.
What is the InChIKey of 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YBFLIZWSDJUKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-3-4-14(2)18(11-13)22-7-9-23(10-8-22)27(25,26)15-5-6-16-17(12-15)21-19(24)20-16/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,24).
What are the key properties of 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 386.48 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 18524431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).