2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride

C21H28Cl2N6O — CID 10288355

IUPAC2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride
SMILESCCc1ccc(OC)c(-c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)c1.Cl.Cl
InChIInChI=1S/C21H26N6O.2ClH/c1-3-16-5-6-19(28-2)18(13-16)20-24-14-17(25-20)15-26-9-11-27(12-10-26)21-22-7-4-8-23-21;;/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,25);2*1H
InChIKeyWQQOIJRUHLRVLD-UHFFFAOYSA-N
MW451.40 g/mol
LogP3.60
Rot. Bonds6

About 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride

2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride (PubChem CID 10288355) has the molecular formula C21H28Cl2N6O and a molecular weight of 451.40 g/mol. Its IUPAC name is 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride
PubChem CID10288355
Molecular FormulaC21H28Cl2N6O
Molecular Weight451.40 g/mol
Exact Mass450.17
IUPAC Name2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride
SMILESCCc1ccc(OC)c(-c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)c1.Cl.Cl
InChIInChI=1S/C21H26N6O.2ClH/c1-3-16-5-6-19(28-2)18(13-16)20-24-14-17(25-20)15-26-9-11-27(12-10-26)21-22-7-4-8-23-21;;/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,25);2*1H
InChIKeyWQQOIJRUHLRVLD-UHFFFAOYSA-N
XLogP3.60
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride with MolForge

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Related Compounds

2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065
2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 3788798
2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine
CID 15453799
2-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 82071195
2-[4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 1376777
4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 10149949
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 59474843
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131938428
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108506303

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride?
The IUPAC name of 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride (CID 10288355) is 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride.
What is the SMILES notation for 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride?
The canonical SMILES for 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride is CCc1ccc(OC)c(-c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)c1.Cl.Cl.
What is the InChIKey of 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride?
The InChIKey is WQQOIJRUHLRVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O.2ClH/c1-3-16-5-6-19(28-2)18(13-16)20-24-14-17(25-20)15-26-9-11-27(12-10-26)21-22-7-4-8-23-21;;/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,25);2*1H.
What are the key properties of 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride?
2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride has a molecular weight of 451.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride is sourced from PubChem (CID 10288355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).