2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone

C19H22N4O2S — CID 90603321

IUPAC2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C19H22N4O2S/c24-17(18-6-3-11-26-18)12-21-7-9-22(10-8-21)19(25)13-23-14-20-15-4-1-2-5-16(15)23/h1-6,11,14,17,24H,7-10,12-13H2
InChIKeyFNVBSZNXFXWCCE-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.98
Rot. Bonds5

About 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone (PubChem CID 90603321) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
PubChem CID90603321
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C19H22N4O2S/c24-17(18-6-3-11-26-18)12-21-7-9-22(10-8-21)19(25)13-23-14-20-15-4-1-2-5-16(15)23/h1-6,11,14,17,24H,7-10,12-13H2
InChIKeyFNVBSZNXFXWCCE-UHFFFAOYSA-N
XLogP1.98
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 90603450
2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896921
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603326
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994
2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
CID 94658858
2-benzylsulfanyl-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 71782988
[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 135103272
2-(4-chlorophenoxy)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603399
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164964
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone (CID 90603321) is 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is FNVBSZNXFXWCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-17(18-6-3-11-26-18)12-21-7-9-22(10-8-21)19(25)13-23-14-20-15-4-1-2-5-16(15)23/h1-6,11,14,17,24H,7-10,12-13H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 370.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90603321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).