[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride

C14H20ClN5O — CID 120879273

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
SMILESCl.Cn1cccc1C(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C14H19N5O.ClH/c1-17-7-3-4-11(17)14(20)19-9-5-15-10-12(19)13-16-6-8-18(13)2;/h3-4,6-8,12,15H,5,9-10H2,1-2H3;1H
InChIKeyQSOPJXJSBDBFGI-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.97
Rot. Bonds2

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride (PubChem CID 120879273) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
PubChem CID120879273
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
SMILESCl.Cn1cccc1C(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C14H19N5O.ClH/c1-17-7-3-4-11(17)14(20)19-9-5-15-10-12(19)13-16-6-8-18(13)2;/h3-4,6-8,12,15H,5,9-10H2,1-2H3;1H
InChIKeyQSOPJXJSBDBFGI-UHFFFAOYSA-N
XLogP0.97
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120878125
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 120878917
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878370
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120879171

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride (CID 120879273) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride is Cl.Cn1cccc1C(=O)N1CCNCC1c1nccn1C.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The InChIKey is QSOPJXJSBDBFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-17-7-3-4-11(17)14(20)19-9-5-15-10-12(19)13-16-6-8-18(13)2;/h3-4,6-8,12,15H,5,9-10H2,1-2H3;1H.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120879273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).