2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone

C17H24N4OS — CID 112759939

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CSc2nc3ccccc3n2CC)CC1
InChIInChI=1S/C17H24N4OS/c1-3-19-9-11-20(12-10-19)16(22)13-23-17-18-14-7-5-6-8-15(14)21(17)4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyPMJHTXBZUGPTNU-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.31
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone

2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 112759939) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID112759939
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CSc2nc3ccccc3n2CC)CC1
InChIInChI=1S/C17H24N4OS/c1-3-19-9-11-20(12-10-19)16(22)13-23-17-18-14-7-5-6-8-15(14)21(17)4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyPMJHTXBZUGPTNU-UHFFFAOYSA-N
XLogP2.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
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
methyl 1-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 7246530
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
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-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 55331351
5-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 38745140
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylethanone
CID 40507352
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 26868226
1-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882217
1-[2-(1-pentylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 4692366

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone (CID 112759939) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CSc2nc3ccccc3n2CC)CC1.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is PMJHTXBZUGPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-3-19-9-11-20(12-10-19)16(22)13-23-17-18-14-7-5-6-8-15(14)21(17)4-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 332.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 112759939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).