5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine

C20H18BrF4N5 — CID 141442764

IUPAC5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCN(c2ncncc2Br)CC1
InChIInChI=1S/C20H18BrF4N5/c1-29-17(13-2-3-16(22)14(8-13)20(23,24)25)10-27-18(29)12-4-6-30(7-5-12)19-15(21)9-26-11-28-19/h2-3,8-12H,4-7H2,1H3
InChIKeyGIAYIYJCFGMTSJ-UHFFFAOYSA-N
MW484.30 g/mol
LogP5.18
Rot. Bonds3

About 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine

5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 141442764) has the molecular formula C20H18BrF4N5 and a molecular weight of 484.30 g/mol. Its IUPAC name is 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID141442764
Molecular FormulaC20H18BrF4N5
Molecular Weight484.30 g/mol
Exact Mass483.07
IUPAC Name5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCN(c2ncncc2Br)CC1
InChIInChI=1S/C20H18BrF4N5/c1-29-17(13-2-3-16(22)14(8-13)20(23,24)25)10-27-18(29)12-4-6-30(7-5-12)19-15(21)9-26-11-28-19/h2-3,8-12H,4-7H2,1H3
InChIKeyGIAYIYJCFGMTSJ-UHFFFAOYSA-N
XLogP5.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.30
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine (CID 141442764) is 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine is Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCN(c2ncncc2Br)CC1.
What is the InChIKey of 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is GIAYIYJCFGMTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF4N5/c1-29-17(13-2-3-16(22)14(8-13)20(23,24)25)10-27-18(29)12-4-6-30(7-5-12)19-15(21)9-26-11-28-19/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine?
5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 484.30 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 141442764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).