5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one

C19H22N4O3S — CID 53092054

IUPAC5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N4O3S/c1-14-11-16-17(21-19(24)20-16)12-18(14)27(25,26)23-9-7-22(8-10-23)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H2,20,21,24)
InChIKeyKMHGSXPVAJFPAJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.67
Rot. Bonds4

About 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one

5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 53092054) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID53092054
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N4O3S/c1-14-11-16-17(21-19(24)20-16)12-18(14)27(25,26)23-9-7-22(8-10-23)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H2,20,21,24)
InChIKeyKMHGSXPVAJFPAJ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one (CID 53092054) is 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one is Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KMHGSXPVAJFPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14-11-16-17(21-19(24)20-16)12-18(14)27(25,26)23-9-7-22(8-10-23)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H2,20,21,24).
What are the key properties of 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one?
5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 386.48 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)sulfonyl-6-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 53092054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).