1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone

C15H20N4O3S — CID 110760390

IUPAC1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C15H20N4O3S/c1-11-16-14-10-13(4-5-15(14)17(11)3)23(21,22)19-8-6-18(7-9-19)12(2)20/h4-5,10H,6-9H2,1-3H3
InChIKeyQFRDSSKRQLTWMC-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.73
Rot. Bonds2

About 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone

1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 110760390) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID110760390
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C15H20N4O3S/c1-11-16-14-10-13(4-5-15(14)17(11)3)23(21,22)19-8-6-18(7-9-19)12(2)20/h4-5,10H,6-9H2,1-3H3
InChIKeyQFRDSSKRQLTWMC-UHFFFAOYSA-N
XLogP0.73
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
CID 110760387
1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
CID 110760379
1-[4-(1-methylbenzimidazol-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796418
5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-1,3-dimethylbenzimidazol-2-one
CID 49454545
(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804882
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
1-[4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 110796415
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
ethyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818643
1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110760434

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone (CID 110760390) is 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C)CC1.
What is the InChIKey of 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is QFRDSSKRQLTWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-16-14-10-13(4-5-15(14)17(11)3)23(21,22)19-8-6-18(7-9-19)12(2)20/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 336.42 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 110760390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).