1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one

C18H24N4O — CID 25284968

IUPAC1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C18H24N4O/c1-3-4-17(23)20-11-13-21(14-12-20)18-19-9-10-22(18)16-7-5-15(2)6-8-16/h5-10H,3-4,11-14H2,1-2H3
InChIKeyJCWCXGSFIQJFLJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.63
Rot. Bonds4

About 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one

1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one (PubChem CID 25284968) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
PubChem CID25284968
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C18H24N4O/c1-3-4-17(23)20-11-13-21(14-12-20)18-19-9-10-22(18)16-7-5-15(2)6-8-16/h5-10H,3-4,11-14H2,1-2H3
InChIKeyJCWCXGSFIQJFLJ-UHFFFAOYSA-N
XLogP2.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
CID 25284972
2-ethoxy-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
CID 25284986
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 42111059
(3,4-dimethylphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
CID 25284988
(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride
CID 45284274
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 166364630
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
CID 45284270
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71779949
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 42111100
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 42111123
1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 50748323
1-(4-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea
CID 3946205

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one (CID 25284968) is 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one?
The InChIKey is JCWCXGSFIQJFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-4-17(23)20-11-13-21(14-12-20)18-19-9-10-22(18)16-7-5-15(2)6-8-16/h5-10H,3-4,11-14H2,1-2H3.
What are the key properties of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one?
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 25284968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).