1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine

C22H25FN4O — CID 120912272

IUPAC1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C22H25FN4O/c1-26-11-10-25-22(26)21-14-24-9-12-27(21)15-17-5-4-7-19(13-17)28-16-18-6-2-3-8-20(18)23/h2-8,10-11,13,21,24H,9,12,14-16H2,1H3
InChIKeyRCLFYTIPPHQEDK-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.28
Rot. Bonds6

About 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine

1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120912272) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120912272
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C22H25FN4O/c1-26-11-10-25-22(26)21-14-24-9-12-27(21)15-17-5-4-7-19(13-17)28-16-18-6-2-3-8-20(18)23/h2-8,10-11,13,21,24H,9,12,14-16H2,1H3
InChIKeyRCLFYTIPPHQEDK-UHFFFAOYSA-N
XLogP3.28
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911827
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911795
2-(1-methylimidazol-2-yl)-1-[(3-nitrophenyl)methyl]piperazine
CID 120870371
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912501
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine (CID 120912272) is 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1C1CNCCN1Cc1cccc(OCc2ccccc2F)c1.
What is the InChIKey of 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is RCLFYTIPPHQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-26-11-10-25-22(26)21-14-24-9-12-27(21)15-17-5-4-7-19(13-17)28-16-18-6-2-3-8-20(18)23/h2-8,10-11,13,21,24H,9,12,14-16H2,1H3.
What are the key properties of 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 380.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120912272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).