1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone

C23H26N4O — CID 70761520

IUPAC1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-n3ccnc3-c3ccc(C)c(C)c3)cc2)CC1
InChIInChI=1S/C23H26N4O/c1-17-4-5-20(16-18(17)2)23-24-10-11-27(23)22-8-6-21(7-9-22)26-14-12-25(13-15-26)19(3)28/h4-11,16H,12-15H2,1-3H3
InChIKeyZJXFLMYESPACFG-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.82
Rot. Bonds3

About 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone

1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 70761520) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID70761520
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-n3ccnc3-c3ccc(C)c(C)c3)cc2)CC1
InChIInChI=1S/C23H26N4O/c1-17-4-5-20(16-18(17)2)23-24-10-11-27(23)22-8-6-21(7-9-22)26-14-12-25(13-15-26)19(3)28/h4-11,16H,12-15H2,1-3H3
InChIKeyZJXFLMYESPACFG-UHFFFAOYSA-N
XLogP3.82
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethylphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
CID 25284988
ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
CID 142419477
4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209202
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20906544
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 103597100
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
(3,4-dimethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113754
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
CID 25284968
1-[4-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858450
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone (CID 70761520) is 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(-n3ccnc3-c3ccc(C)c(C)c3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is ZJXFLMYESPACFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-4-5-20(16-18(17)2)23-24-10-11-27(23)22-8-6-21(7-9-22)26-14-12-25(13-15-26)19(3)28/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 374.49 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(3,4-dimethylphenyl)imidazol-1-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70761520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).