3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C19H22ClN5 — CID 120768922

IUPAC3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(CN3CCNCC3c3ccccc3Cl)cnc2n1
InChIInChI=1S/C19H22ClN5/c1-13-9-14(2)25-15(10-22-19(25)23-13)12-24-8-7-21-11-18(24)16-5-3-4-6-17(16)20/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3
InChIKeyGQRNVDCIXGOIBF-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.15
Rot. Bonds3

About 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 120768922) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID120768922
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(CN3CCNCC3c3ccccc3Cl)cnc2n1
InChIInChI=1S/C19H22ClN5/c1-13-9-14(2)25-15(10-22-19(25)23-13)12-24-8-7-21-11-18(24)16-5-3-4-6-17(16)20/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3
InChIKeyGQRNVDCIXGOIBF-UHFFFAOYSA-N
XLogP3.15
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120738157
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 120739824
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 136582335

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 120768922) is 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2c(CN3CCNCC3c3ccccc3Cl)cnc2n1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is GQRNVDCIXGOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-13-9-14(2)25-15(10-22-19(25)23-13)12-24-8-7-21-11-18(24)16-5-3-4-6-17(16)20/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3.
What are the key properties of 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 355.87 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 120768922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).