1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine

C15H18F2N4 — CID 120869814

IUPAC1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1cccc(F)c1F
InChIInChI=1S/C15H18F2N4/c1-20-7-6-19-15(20)13-9-18-5-8-21(13)10-11-3-2-4-12(16)14(11)17/h2-4,6-7,13,18H,5,8-10H2,1H3
InChIKeyAPRRVFZQGVWGND-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.84
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine

1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120869814) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120869814
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1cccc(F)c1F
InChIInChI=1S/C15H18F2N4/c1-20-7-6-19-15(20)13-9-18-5-8-21(13)10-11-3-2-4-12(16)14(11)17/h2-4,6-7,13,18H,5,8-10H2,1H3
InChIKeyAPRRVFZQGVWGND-UHFFFAOYSA-N
XLogP1.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120912272
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911751
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
1-[(5-bromo-2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871243
1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911795
1-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870133
2-(1-methylimidazol-2-yl)-1-[(3-nitrophenyl)methyl]piperazine
CID 120870371

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine (CID 120869814) is 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1C1CNCCN1Cc1cccc(F)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is APRRVFZQGVWGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-20-7-6-19-15(20)13-9-18-5-8-21(13)10-11-3-2-4-12(16)14(11)17/h2-4,6-7,13,18H,5,8-10H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 292.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120869814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).