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

C22H25ClN4O2 — CID 120878645

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H24N4O2.ClH/c1-25-13-12-24-21(25)20-15-23-11-14-26(20)22(27)18-7-9-19(10-8-18)28-16-17-5-3-2-4-6-17;/h2-10,12-13,20,23H,11,14-16H2,1H3;1H
InChIKeyLFBWMAYXYLRTEQ-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.21
Rot. Bonds5

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

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride (PubChem CID 120878645) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
PubChem CID120878645
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H24N4O2.ClH/c1-25-13-12-24-21(25)20-15-23-11-14-26(20)22(27)18-7-9-19(10-8-18)28-16-17-5-3-2-4-6-17;/h2-10,12-13,20,23H,11,14-16H2,1H3;1H
InChIKeyLFBWMAYXYLRTEQ-UHFFFAOYSA-N
XLogP3.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120877541
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride (CID 120878645) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride?
The InChIKey is LFBWMAYXYLRTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.ClH/c1-25-13-12-24-21(25)20-15-23-11-14-26(20)22(27)18-7-9-19(10-8-18)28-16-17-5-3-2-4-6-17;/h2-10,12-13,20,23H,11,14-16H2,1H3;1H.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 3.21, 5 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]-(4-phenylmethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 120878645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).