[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone

C24H28N4O — CID 175383145

IUPAC[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone
SMILESCCC1(c2ccc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)cc2)C=NC=N1
InChIInChI=1S/C24H28N4O/c1-4-24(16-25-17-26-24)21-8-6-20(7-9-21)23(29)28-13-11-27(12-14-28)22-10-5-18(2)15-19(22)3/h5-10,15-17H,4,11-14H2,1-3H3
InChIKeyJMMLMZOOUMNHSL-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.98
Rot. Bonds4

About [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone

[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone (PubChem CID 175383145) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone
PubChem CID175383145
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone
SMILESCCC1(c2ccc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)cc2)C=NC=N1
InChIInChI=1S/C24H28N4O/c1-4-24(16-25-17-26-24)21-8-6-20(7-9-21)23(29)28-13-11-27(12-14-28)22-10-5-18(2)15-19(22)3/h5-10,15-17H,4,11-14H2,1-3H3
InChIKeyJMMLMZOOUMNHSL-UHFFFAOYSA-N
XLogP3.98
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone with MolForge

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Related Compounds

(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]phenyl]methanone
CID 92876180
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822663
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone (CID 175383145) is [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone is CCC1(c2ccc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)cc2)C=NC=N1.
What is the InChIKey of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone?
The InChIKey is JMMLMZOOUMNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-24(16-25-17-26-24)21-8-6-20(7-9-21)23(29)28-13-11-27(12-14-28)22-10-5-18(2)15-19(22)3/h5-10,15-17H,4,11-14H2,1-3H3.
What are the key properties of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone?
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone has a molecular weight of 388.52 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone is sourced from PubChem (CID 175383145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).