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

C15H19N3OS — CID 5131087

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H19N3OS/c1-11-6-4-5-9-18(11)14(19)10-20-15-16-12-7-2-3-8-13(12)17-15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17)
InChIKeyQCWLKUAQSFHASC-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.06
Rot. Bonds3

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

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 5131087) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID5131087
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H19N3OS/c1-11-6-4-5-9-18(11)14(19)10-20-15-16-12-7-2-3-8-13(12)17-15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17)
InChIKeyQCWLKUAQSFHASC-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylthio)benzimidazole
CID 23539
K-604
CID 9892288
(2-Benzimidazolylthio)-acetic acid
CID 137805
2-(Allylthio)benzimidazole
CID 1605100
N-(1H-1,3-benzodiazol-2-yl)acetamide
CID 167972
2-(Ethylthio)benzimidazole
CID 720878
ethyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
CID 21564
2-(4-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)piperazin-1-yl)-N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide hydrochloride
CID 10256727
Ethanol, 2-(1H-benzimidazol-2-ylthio)-
CID 146084
1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione
CID 672548
[(2S,4S)-4-[4-(1H-Benzimidazol-2-yl)-1-piperazinyl]-2-pyrrolidinyl]-3-thiazolidinylmethanone
CID 66559298
2-(isopentylthio)-1H-benzo[d]imidazole
CID 713234

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone (CID 5131087) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is QCWLKUAQSFHASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-6-4-5-9-18(11)14(19)10-20-15-16-12-7-2-3-8-13(12)17-15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 289.40 g/mol, XLogP of 3.06, 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-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5131087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).