[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride

C18H22ClN7O — CID 120877565

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
SMILESCc1ccc(-n2cc(C(=O)N3CCNCC3c3nccn3C)nn2)cc1.Cl
InChIInChI=1S/C18H21N7O.ClH/c1-13-3-5-14(6-4-13)25-12-15(21-22-25)18(26)24-10-7-19-11-16(24)17-20-8-9-23(17)2;/h3-6,8-9,12,16,19H,7,10-11H2,1-2H3;1H
InChIKeyMFVNNNQMCDLZKG-UHFFFAOYSA-N
MW387.88 g/mol
LogP1.52
Rot. Bonds3

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride (PubChem CID 120877565) has the molecular formula C18H22ClN7O and a molecular weight of 387.88 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
PubChem CID120877565
Molecular FormulaC18H22ClN7O
Molecular Weight387.88 g/mol
Exact Mass387.16
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
SMILESCc1ccc(-n2cc(C(=O)N3CCNCC3c3nccn3C)nn2)cc1.Cl
InChIInChI=1S/C18H21N7O.ClH/c1-13-3-5-14(6-4-13)25-12-15(21-22-25)18(26)24-10-7-19-11-16(24)17-20-8-9-23(17)2;/h3-6,8-9,12,16,19H,7,10-11H2,1-2H3;1H
InChIKeyMFVNNNQMCDLZKG-UHFFFAOYSA-N
XLogP1.52
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120733890
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
imidazo[1,2-a]pyridin-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877946
[1-(4-fluorophenyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 167776575
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120878125
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878370
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120878312

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride (CID 120877565) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride is Cc1ccc(-n2cc(C(=O)N3CCNCC3c3nccn3C)nn2)cc1.Cl.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride?
The InChIKey is MFVNNNQMCDLZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O.ClH/c1-13-3-5-14(6-4-13)25-12-15(21-22-25)18(26)24-10-7-19-11-16(24)17-20-8-9-23(17)2;/h3-6,8-9,12,16,19H,7,10-11H2,1-2H3;1H.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride has a molecular weight of 387.88 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120877565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).