[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone

C20H22N4O2S — CID 120879428

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C20H22N4O2S/c1-23-9-8-22-19(23)18-13-21-7-10-24(18)20(25)15-4-2-5-16(12-15)26-14-17-6-3-11-27-17/h2-6,8-9,11-12,18,21H,7,10,13-14H2,1H3
InChIKeyLYUMNGAJRXEZEY-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.85
Rot. Bonds5

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone (PubChem CID 120879428) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
PubChem CID120879428
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C20H22N4O2S/c1-23-9-8-22-19(23)18-13-21-7-10-24(18)20(25)15-4-2-5-16(12-15)26-14-17-6-3-11-27-17/h2-6,8-9,11-12,18,21H,7,10,13-14H2,1H3
InChIKeyLYUMNGAJRXEZEY-UHFFFAOYSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879590
(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879589
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(1,3-thiazol-4-yl)phenyl]methanone
CID 120877682
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 120880628
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120879403
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 120877842
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879016

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone (CID 120879428) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone is Cn1ccnc1C1CNCCN1C(=O)c1cccc(OCc2cccs2)c1.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone?
The InChIKey is LYUMNGAJRXEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-23-9-8-22-19(23)18-13-21-7-10-24(18)20(25)15-4-2-5-16(12-15)26-14-17-6-3-11-27-17/h2-6,8-9,11-12,18,21H,7,10,13-14H2,1H3.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone has a molecular weight of 382.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 120879428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).