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

C20H23N3OS — CID 172968600

IUPAC3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C20H23N3OS/c24-20-21-18-8-4-5-9-19(18)23(20)16-10-12-22(13-11-16)14-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,24)
InChIKeyMVMGPCMWBCJSIV-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.76
Rot. Bonds5

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

3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968600) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968600
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C20H23N3OS/c24-20-21-18-8-4-5-9-19(18)23(20)16-10-12-22(13-11-16)14-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,24)
InChIKeyMVMGPCMWBCJSIV-UHFFFAOYSA-N
XLogP3.76
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.76
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-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968543
3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58160538
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968600) is 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CCSc2ccccc2)CC1.
What is the InChIKey of 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is MVMGPCMWBCJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c24-20-21-18-8-4-5-9-19(18)23(20)16-10-12-22(13-11-16)14-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,24).
What are the key properties of 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 353.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).