2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone

C14H17N3OS — CID 757389

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C14H17N3OS/c18-13(17-8-4-1-5-9-17)10-19-14-15-11-6-2-3-7-12(11)16-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16)
InChIKeyXSXMBPOJUFFANC-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.67
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone (PubChem CID 757389) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
PubChem CID757389
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C14H17N3OS/c18-13(17-8-4-1-5-9-17)10-19-14-15-11-6-2-3-7-12(11)16-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16)
InChIKeyXSXMBPOJUFFANC-UHFFFAOYSA-N
XLogP2.67
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.67
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-piperidin-1-ylethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone (CID 757389) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone is O=C(CSc1nc2ccccc2[nH]1)N1CCCCC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone?
The InChIKey is XSXMBPOJUFFANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13(17-8-4-1-5-9-17)10-19-14-15-11-6-2-3-7-12(11)16-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone has a molecular weight of 275.38 g/mol, XLogP of 2.67, 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-piperidin-1-ylethanone is sourced from PubChem (CID 757389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).