2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone

C15H19N3OS — CID 9362571

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESCn1c(SCC(=O)N2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H19N3OS/c1-17-13-8-4-3-7-12(13)16-15(17)20-11-14(19)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyBYIZBWZHXGBOGO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.68
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone

2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 9362571) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID9362571
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESCn1c(SCC(=O)N2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H19N3OS/c1-17-13-8-4-3-7-12(13)16-15(17)20-11-14(19)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyBYIZBWZHXGBOGO-UHFFFAOYSA-N
XLogP2.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 17413749
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 645257
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 40673779
N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 27929631
1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46959558
2-(4-fluorophenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetonitrile
CID 112810418
(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25334103
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925071
ethyl (2R)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperidine-2-carboxylate
CID 40673761

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone (CID 9362571) is 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone is Cn1c(SCC(=O)N2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is BYIZBWZHXGBOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-17-13-8-4-3-7-12(13)16-15(17)20-11-14(19)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone?
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 289.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 9362571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).