1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione

C22H30N4O2 — CID 120877558

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C22H30N4O2/c1-16(2)14-17-4-6-18(7-5-17)20(27)8-9-21(28)26-13-10-23-15-19(26)22-24-11-12-25(22)3/h4-7,11-12,16,19,23H,8-10,13-15H2,1-3H3
InChIKeySEGQVTLGJFXIJN-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione (PubChem CID 120877558) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
PubChem CID120877558
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)N2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C22H30N4O2/c1-16(2)14-17-4-6-18(7-5-17)20(27)8-9-21(28)26-13-10-23-15-19(26)22-24-11-12-25(22)3/h4-7,11-12,16,19,23H,8-10,13-15H2,1-3H3
InChIKeySEGQVTLGJFXIJN-UHFFFAOYSA-N
XLogP2.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione with MolForge

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 120877364
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione;hydrochloride
CID 120880653
1-[4-(2-methylpropyl)phenyl]-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione;hydrochloride
CID 120731023
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120878290
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
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
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione (CID 120877558) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione is CC(C)Cc1ccc(C(=O)CCC(=O)N2CCNCC2c2nccn2C)cc1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione?
The InChIKey is SEGQVTLGJFXIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16(2)14-17-4-6-18(7-5-17)20(27)8-9-21(28)26-13-10-23-15-19(26)22-24-11-12-25(22)3/h4-7,11-12,16,19,23H,8-10,13-15H2,1-3H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione has a molecular weight of 382.51 g/mol, XLogP of 2.75, 7 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]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 120877558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).