1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine

C20H19BrF3N5 — CID 20595822

IUPAC1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C20H19BrF3N5/c1-27-13-17(14-3-2-4-15(11-14)20(22,23)24)26-19(27)29-9-7-28(8-10-29)18-6-5-16(21)12-25-18/h2-6,11-13H,7-10H2,1H3
InChIKeyVXGAWEWLFWMLSZ-UHFFFAOYSA-N
MW466.31 g/mol
LogP4.59
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine

1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine (PubChem CID 20595822) has the molecular formula C20H19BrF3N5 and a molecular weight of 466.31 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
PubChem CID20595822
Molecular FormulaC20H19BrF3N5
Molecular Weight466.31 g/mol
Exact Mass465.08
IUPAC Name1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C20H19BrF3N5/c1-27-13-17(14-3-2-4-15(11-14)20(22,23)24)26-19(27)29-9-7-28(8-10-29)18-6-5-16(21)12-25-18/h2-6,11-13H,7-10H2,1H3
InChIKeyVXGAWEWLFWMLSZ-UHFFFAOYSA-N
XLogP4.59
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine (CID 20595822) is 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine is Cn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine?
The InChIKey is VXGAWEWLFWMLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF3N5/c1-27-13-17(14-3-2-4-15(11-14)20(22,23)24)26-19(27)29-9-7-28(8-10-29)18-6-5-16(21)12-25-18/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine?
1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine has a molecular weight of 466.31 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine is sourced from PubChem (CID 20595822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).