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

C18H25ClN4O — CID 120877871

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
SMILESCCCc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-3-4-14-5-7-15(8-6-14)18(23)22-12-9-19-13-16(22)17-20-10-11-21(17)2;/h5-8,10-11,16,19H,3-4,9,12-13H2,1-2H3;1H
InChIKeyFNPINYQEMJYHNL-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.58
Rot. Bonds4

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

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride (PubChem CID 120877871) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
PubChem CID120877871
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
SMILESCCCc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-3-4-14-5-7-15(8-6-14)18(23)22-12-9-19-13-16(22)17-20-10-11-21(17)2;/h5-8,10-11,16,19H,3-4,9,12-13H2,1-2H3;1H
InChIKeyFNPINYQEMJYHNL-UHFFFAOYSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120877541
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877238
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 120880036
(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
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone
CID 120879292

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride (CID 120877871) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride is CCCc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride?
The InChIKey is FNPINYQEMJYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-3-4-14-5-7-15(8-6-14)18(23)22-12-9-19-13-16(22)17-20-10-11-21(17)2;/h5-8,10-11,16,19H,3-4,9,12-13H2,1-2H3;1H.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride is sourced from PubChem (CID 120877871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).