1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride

C17H23ClN4O — CID 45284224

IUPAC1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-2-19-9-8-18-17(19)21-12-10-20(11-13-21)16(22)14-15-6-4-3-5-7-15;/h3-9H,2,10-14H2,1H3;1H
InChIKeyODXLMPWMZYBZQZ-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.22
Rot. Bonds4

About 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride

1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 45284224) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID45284224
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-2-19-9-8-18-17(19)21-12-10-20(11-13-21)16(22)14-15-6-4-3-5-7-15;/h3-9H,2,10-14H2,1H3;1H
InChIKeyODXLMPWMZYBZQZ-UHFFFAOYSA-N
XLogP2.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 42111036
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 42111059
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 45284215
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 25284890
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 71779994
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 45284165
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 42111025
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride (CID 45284224) is 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride is CCn1ccnc1N1CCN(C(=O)Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is ODXLMPWMZYBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-2-19-9-8-18-17(19)21-12-10-20(11-13-21)16(22)14-15-6-4-3-5-7-15;/h3-9H,2,10-14H2,1H3;1H.
What are the key properties of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride?
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 45284224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).