2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine

C20H26N6O — CID 120871475

IUPAC2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
SMILESCn1ccnc1COc1ccc(CN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C20H26N6O/c1-24-10-8-22-19(24)15-27-17-5-3-16(4-6-17)14-26-12-7-21-13-18(26)20-23-9-11-25(20)2/h3-6,8-11,18,21H,7,12-15H2,1-2H3
InChIKeyIUKKKNXPHXZYDM-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.88
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine

2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine (PubChem CID 120871475) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
PubChem CID120871475
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
SMILESCn1ccnc1COc1ccc(CN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C20H26N6O/c1-24-10-8-22-19(24)15-27-17-5-3-16(4-6-17)14-26-12-7-21-13-18(26)20-23-9-11-25(20)2/h3-6,8-11,18,21H,7,12-15H2,1-2H3
InChIKeyIUKKKNXPHXZYDM-UHFFFAOYSA-N
XLogP1.88
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120754417
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870745
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870987
3-[(4-fluorophenoxy)methyl]-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120870962
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120912272

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine (CID 120871475) is 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine is Cn1ccnc1COc1ccc(CN2CCNCC2c2nccn2C)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine?
The InChIKey is IUKKKNXPHXZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-24-10-8-22-19(24)15-27-17-5-3-16(4-6-17)14-26-12-7-21-13-18(26)20-23-9-11-25(20)2/h3-6,8-11,18,21H,7,12-15H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine?
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine has a molecular weight of 366.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine is sourced from PubChem (CID 120871475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).