(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

C17H24N4O3S — CID 110804882

IUPAC(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C17H24N4O3S/c1-4-11-25(23,24)21-9-7-20(8-10-21)17(22)14-5-6-16-15(12-14)18-13(2)19(16)3/h5-6,12H,4,7-11H2,1-3H3
InChIKeyRAKHFKREVTYYMJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.38
Rot. Bonds4

About (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 110804882) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID110804882
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C17H24N4O3S/c1-4-11-25(23,24)21-9-7-20(8-10-21)17(22)14-5-6-16-15(12-14)18-13(2)19(16)3/h5-6,12H,4,7-11H2,1-3H3
InChIKeyRAKHFKREVTYYMJ-UHFFFAOYSA-N
XLogP1.38
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
(2-methyl-1,3-benzoxazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110399539
(4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108569305
(2-bromo-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 103754452
(1,2-dimethylbenzimidazol-5-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759028
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
CID 20955787
N-[1-(1,2-dimethylbenzimidazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51101306
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
(1,2-dimethylbenzimidazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023368
(4-butylsulfonylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110805000
1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 110760390

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 110804882) is (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3C)CC1.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RAKHFKREVTYYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-11-25(23,24)21-9-7-20(8-10-21)17(22)14-5-6-16-15(12-14)18-13(2)19(16)3/h5-6,12H,4,7-11H2,1-3H3.
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 110804882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).