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

C16H21N3OS — CID 861065

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESCCn1c(SCC(=O)N2CCCCC2)nc2ccccc21
InChIInChI=1S/C16H21N3OS/c1-2-19-14-9-5-4-8-13(14)17-16(19)21-12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyBUEYSWCIRQJDNO-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.16
Rot. Bonds4

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

2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 861065) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID861065
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESCCn1c(SCC(=O)N2CCCCC2)nc2ccccc21
InChIInChI=1S/C16H21N3OS/c1-2-19-14-9-5-4-8-13(14)17-16(19)21-12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyBUEYSWCIRQJDNO-UHFFFAOYSA-N
XLogP3.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 112759939
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
methyl 1-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 7246530
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 40688694
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 40673693
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
methyl 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetate
CID 4085274
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 17449106
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925071
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 40739487

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone (CID 861065) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone is CCn1c(SCC(=O)N2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is BUEYSWCIRQJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-19-14-9-5-4-8-13(14)17-16(19)21-12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 303.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 861065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).