2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine

C28H28F3N5O — CID 166119760

IUPAC2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine
SMILESCCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C28H28F3N5O/c1-3-19-14-18(2)15-23(16-19)37-27-33-13-10-24(35-27)26-25(20-4-6-21(7-5-20)28(29,30)31)34-17-36(26)22-8-11-32-12-9-22/h4-7,10,13-17,22,32H,3,8-9,11-12H2,1-2H3
InChIKeyZEXDXDBRHDEGIE-UHFFFAOYSA-N
MW507.56 g/mol
LogP6.61
Rot. Bonds6

About 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine

2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine (PubChem CID 166119760) has the molecular formula C28H28F3N5O and a molecular weight of 507.56 g/mol. Its IUPAC name is 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine
PubChem CID166119760
Molecular FormulaC28H28F3N5O
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC Name2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine
SMILESCCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C28H28F3N5O/c1-3-19-14-18(2)15-23(16-19)37-27-33-13-10-24(35-27)26-25(20-4-6-21(7-5-20)28(29,30)31)34-17-36(26)22-8-11-32-12-9-22/h4-7,10,13-17,22,32H,3,8-9,11-12H2,1-2H3
InChIKeyZEXDXDBRHDEGIE-UHFFFAOYSA-N
XLogP6.61
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
2,4-Disubstituted Pyrimidine 2g
CID 5329420
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]-2-(2-Methoxyphenoxy)pyrimidine
CID 15872406
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613
2-(4-Chloro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536627
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine?
The IUPAC name of 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine (CID 166119760) is 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine?
The canonical SMILES for 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine is CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCNCC3)n2)c1.
What is the InChIKey of 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine?
The InChIKey is ZEXDXDBRHDEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O/c1-3-19-14-18(2)15-23(16-19)37-27-33-13-10-24(35-27)26-25(20-4-6-21(7-5-20)28(29,30)31)34-17-36(26)22-8-11-32-12-9-22/h4-7,10,13-17,22,32H,3,8-9,11-12H2,1-2H3.
What are the key properties of 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine?
2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine has a molecular weight of 507.56 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine is sourced from PubChem (CID 166119760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).