1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine

C18H24F2N4O — CID 120911748

IUPAC1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCc1cc(CN2CCNCC2c2nccn2C)cc(C)c1OC(F)F
InChIInChI=1S/C18H24F2N4O/c1-12-8-14(9-13(2)16(12)25-18(19)20)11-24-7-4-21-10-15(24)17-22-5-6-23(17)3/h5-6,8-9,15,18,21H,4,7,10-11H2,1-3H3
InChIKeyFQMMOUYUGFAFMF-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.78
Rot. Bonds5

About 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine

1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120911748) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120911748
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCc1cc(CN2CCNCC2c2nccn2C)cc(C)c1OC(F)F
InChIInChI=1S/C18H24F2N4O/c1-12-8-14(9-13(2)16(12)25-18(19)20)11-24-7-4-21-10-15(24)17-22-5-6-23(17)3/h5-6,8-9,15,18,21H,4,7,10-11H2,1-3H3
InChIKeyFQMMOUYUGFAFMF-UHFFFAOYSA-N
XLogP2.78
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880336
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120912130
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870987
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride
CID 120912179
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870103
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine (CID 120911748) is 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine is Cc1cc(CN2CCNCC2c2nccn2C)cc(C)c1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is FQMMOUYUGFAFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-12-8-14(9-13(2)16(12)25-18(19)20)11-24-7-4-21-10-15(24)17-22-5-6-23(17)3/h5-6,8-9,15,18,21H,4,7,10-11H2,1-3H3.
What are the key properties of 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 350.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120911748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).