1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone

C22H24N4O2 — CID 120879746

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
SMILESCn1ccnc1C1CNCCN1C(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-25-13-12-24-22(25)19-15-23-11-14-26(19)21(27)16-28-20-10-6-5-9-18(20)17-7-3-2-4-8-17/h2-10,12-13,19,23H,11,14-16H2,1H3
InChIKeyOURBKSORBYRKIO-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone (PubChem CID 120879746) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
PubChem CID120879746
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
SMILESCn1ccnc1C1CNCCN1C(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-25-13-12-24-22(25)19-15-23-11-14-26(19)21(27)16-28-20-10-6-5-9-18(20)17-7-3-2-4-8-17/h2-10,12-13,19,23H,11,14-16H2,1H3
InChIKeyOURBKSORBYRKIO-UHFFFAOYSA-N
XLogP2.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879016
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 120880192
2-(3-chlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879486
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880841
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone (CID 120879746) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone is Cn1ccnc1C1CNCCN1C(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone?
The InChIKey is OURBKSORBYRKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-13-12-24-22(25)19-15-23-11-14-26(19)21(27)16-28-20-10-6-5-9-18(20)17-7-3-2-4-8-17/h2-10,12-13,19,23H,11,14-16H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone has a molecular weight of 376.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone is sourced from PubChem (CID 120879746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).