4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine

C25H21F4N5O — CID 15872407

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2
InChIKeyINPGJMSTKSQOMI-UHFFFAOYSA-N
MW483.47 g/mol
LogP5.88
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 15872407) has the molecular formula C25H21F4N5O and a molecular weight of 483.47 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID15872407
Molecular FormulaC25H21F4N5O
Molecular Weight483.47 g/mol
Exact Mass483.17
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2
InChIKeyINPGJMSTKSQOMI-UHFFFAOYSA-N
XLogP5.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Astemizole
CID 2247
2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
(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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 15872407) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is INPGJMSTKSQOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 483.47 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 15872407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).