3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C20H23N3O3S — CID 60531984

IUPAC3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3S/c24-20-21-18-8-4-5-9-19(18)23(20)17-10-13-22(14-11-17)27(25,26)15-12-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,21,24)
InChIKeyPYIMUQALZIAFET-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.54
Rot. Bonds5

About 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 60531984) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID60531984
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3S/c24-20-21-18-8-4-5-9-19(18)23(20)17-10-13-22(14-11-17)27(25,26)15-12-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,21,24)
InChIKeyPYIMUQALZIAFET-UHFFFAOYSA-N
XLogP2.54
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 55431748
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 6735522
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 55434574
3-[1-[(1R,2R)-1,2-dimethylcyclopropyl]sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 172968605
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 102281870
3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 131722251
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]propane-1-sulfonamide
CID 53470365
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 3678291

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 60531984) is 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is PYIMUQALZIAFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-20-21-18-8-4-5-9-19(18)23(20)17-10-13-22(14-11-17)27(25,26)15-12-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,21,24).
What are the key properties of 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 385.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 60531984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).