2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

C20H18F3N5O — CID 59252433

IUPAC2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(N1CCCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)C1)C(F)(F)F
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)19(29)28-8-4-7-14(12-28)18-26-11-16(27-18)15-9-24-17(25-10-15)13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8,12H2,(H,26,27)
InChIKeyUCHAXPSQCWMIER-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.80
Rot. Bonds3

About 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 59252433) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID59252433
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(N1CCCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)C1)C(F)(F)F
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)19(29)28-8-4-7-14(12-28)18-26-11-16(27-18)15-9-24-17(25-10-15)13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8,12H2,(H,26,27)
InChIKeyUCHAXPSQCWMIER-UHFFFAOYSA-N
XLogP3.80
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

SB-220025
CID 5164
PF-4708671
CID 51371303
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
Ngd 94-1
CID 188942
SB-242235
CID 9863367
2,4-Disubstituted Pyrimidine 3d
CID 5329429
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 10475737
3,4-Dihydroquinolin-1(2h)-Yl[4-(1h-Imidazol-5-Yl)piperidin-1-Yl]methanone
CID 24895969
Bay-985
CID 145925685
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (CID 59252433) is 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is O=C(N1CCCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is UCHAXPSQCWMIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)19(29)28-8-4-7-14(12-28)18-26-11-16(27-18)15-9-24-17(25-10-15)13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8,12H2,(H,26,27).
What are the key properties of 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 401.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 59252433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).