1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

C27H26F2N4O — CID 11059579

IUPAC1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C27H26F2N4O/c1-34-26-5-3-2-4-25(26)32-16-14-31(15-17-32)18-23-19-33(24-12-10-22(29)11-13-24)27(30-23)20-6-8-21(28)9-7-20/h2-13,19H,14-18H2,1H3
InChIKeyYKZBAGIEZBPODW-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.15
Rot. Bonds6

About 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 11059579) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID11059579
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C27H26F2N4O/c1-34-26-5-3-2-4-25(26)32-16-14-31(15-17-32)18-23-19-33(24-12-10-22(29)11-13-24)27(30-23)20-6-8-21(28)9-7-20/h2-13,19H,14-18H2,1H3
InChIKeyYKZBAGIEZBPODW-UHFFFAOYSA-N
XLogP5.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 11059579) is 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is YKZBAGIEZBPODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c1-34-26-5-3-2-4-25(26)32-16-14-31(15-17-32)18-23-19-33(24-12-10-22(29)11-13-24)27(30-23)20-6-8-21(28)9-7-20/h2-13,19H,14-18H2,1H3.
What are the key properties of 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 460.53 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 11059579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).