2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

C21H30N4O — CID 90561106

IUPAC2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C21H30N4O/c1-17(2)21-22-7-8-25(21)14-11-23-9-12-24(13-10-23)20(26)16-19-6-4-5-18(3)15-19/h4-8,15,17H,9-14,16H2,1-3H3
InChIKeyZDVGAUJZUYYJHX-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.70
Rot. Bonds6

About 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 90561106) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID90561106
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C21H30N4O/c1-17(2)21-22-7-8-25(21)14-11-23-9-12-24(13-10-23)20(26)16-19-6-4-5-18(3)15-19/h4-8,15,17H,9-14,16H2,1-3H3
InChIKeyZDVGAUJZUYYJHX-UHFFFAOYSA-N
XLogP2.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561101
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561194
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561341
1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90561095
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561338
3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561290
3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 90560987
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 90561223
1-[(3-methylphenyl)methyl]-4-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-2-one
CID 97195772

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (CID 90561106) is 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCN(CCn3ccnc3C(C)C)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is ZDVGAUJZUYYJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17(2)21-22-7-8-25(21)14-11-23-9-12-24(13-10-23)20(26)16-19-6-4-5-18(3)15-19/h4-8,15,17H,9-14,16H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 354.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90561106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).