1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride

C19H27Cl3N4O — CID 120738779

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
SMILESCC(C)c1nccn1CCC(=O)N1CCNCC1c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C19H25ClN4O.2ClH/c1-14(2)19-22-9-11-23(19)10-7-18(25)24-12-8-21-13-17(24)15-5-3-4-6-16(15)20;;/h3-6,9,11,14,17,21H,7-8,10,12-13H2,1-2H3;2*1H
InChIKeyKWFFJLGJJUSBOL-UHFFFAOYSA-N
MW433.81 g/mol
LogP4.07
Rot. Bonds5

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride (PubChem CID 120738779) has the molecular formula C19H27Cl3N4O and a molecular weight of 433.81 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
PubChem CID120738779
Molecular FormulaC19H27Cl3N4O
Molecular Weight433.81 g/mol
Exact Mass432.13
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
SMILESCC(C)c1nccn1CCC(=O)N1CCNCC1c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C19H25ClN4O.2ClH/c1-14(2)19-22-9-11-23(19)10-7-18(25)24-12-8-21-13-17(24)15-5-3-4-6-16(15)20;;/h3-6,9,11,14,17,21H,7-8,10,12-13H2,1-2H3;2*1H
InChIKeyKWFFJLGJJUSBOL-UHFFFAOYSA-N
XLogP4.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride with MolForge

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
CID 120740568
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 120739303
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 120739364
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride (CID 120738779) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride is CC(C)c1nccn1CCC(=O)N1CCNCC1c1ccccc1Cl.Cl.Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride?
The InChIKey is KWFFJLGJJUSBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O.2ClH/c1-14(2)19-22-9-11-23(19)10-7-18(25)24-12-8-21-13-17(24)15-5-3-4-6-16(15)20;;/h3-6,9,11,14,17,21H,7-8,10,12-13H2,1-2H3;2*1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride has a molecular weight of 433.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 120738779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).