5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one

C21H24N4O4S — CID 39886486

IUPAC5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1
InChIInChI=1S/C21H24N4O4S/c1-15(26)16-4-6-17(7-5-16)24-10-12-25(13-11-24)30(28,29)18-8-9-19-20(14-18)23(3)21(27)22(19)2/h4-9,14H,10-13H2,1-3H3
InChIKeyGLLBYZJYBWHCOK-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.59
Rot. Bonds4

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

5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one (PubChem CID 39886486) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
PubChem CID39886486
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1
InChIInChI=1S/C21H24N4O4S/c1-15(26)16-4-6-17(7-5-16)24-10-12-25(13-11-24)30(28,29)18-8-9-19-20(14-18)23(3)21(27)22(19)2/h4-9,14H,10-13H2,1-3H3
InChIKeyGLLBYZJYBWHCOK-UHFFFAOYSA-N
XLogP1.59
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one (CID 39886486) is 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one is CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1.
What is the InChIKey of 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one?
The InChIKey is GLLBYZJYBWHCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-15(26)16-4-6-17(7-5-16)24-10-12-25(13-11-24)30(28,29)18-8-9-19-20(14-18)23(3)21(27)22(19)2/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one?
5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one has a molecular weight of 428.51 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 39886486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).