2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone

C15H19N3OS — CID 732222

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3OS/c1-11-6-8-18(9-7-11)14(19)10-20-15-16-12-4-2-3-5-13(12)17-15/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyDLBLZDXRCLOKSG-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.91
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 732222) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID732222
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3OS/c1-11-6-8-18(9-7-11)14(19)10-20-15-16-12-4-2-3-5-13(12)17-15/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyDLBLZDXRCLOKSG-UHFFFAOYSA-N
XLogP2.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 732222) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is DLBLZDXRCLOKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-6-8-18(9-7-11)14(19)10-20-15-16-12-4-2-3-5-13(12)17-15/h2-5,11H,6-10H2,1H3,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 289.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 732222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).