2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide

C16H22N4OS — CID 752452

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCCN1CCCCC1
InChIInChI=1S/C16H22N4OS/c21-15(17-8-11-20-9-4-1-5-10-20)12-22-16-18-13-6-2-3-7-14(13)19-16/h2-3,6-7H,1,4-5,8-12H2,(H,17,21)(H,18,19)
InChIKeyKBNRZCXTERESFY-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.26
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 752452) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID752452
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCCN1CCCCC1
InChIInChI=1S/C16H22N4OS/c21-15(17-8-11-20-9-4-1-5-10-20)12-22-16-18-13-6-2-3-7-14(13)19-16/h2-3,6-7H,1,4-5,8-12H2,(H,17,21)(H,18,19)
InChIKeyKBNRZCXTERESFY-UHFFFAOYSA-N
XLogP2.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide (CID 752452) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)NCCN1CCCCC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is KBNRZCXTERESFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c21-15(17-8-11-20-9-4-1-5-10-20)12-22-16-18-13-6-2-3-7-14(13)19-16/h2-3,6-7H,1,4-5,8-12H2,(H,17,21)(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 318.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 752452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).