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

C50H45F5N10O3 — CID 158076388

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C25H21F4N5O.C25H24FN5O2/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;1-32-21-4-2-3-5-22(21)33-25-28-15-12-20(30-25)24-23(17-6-8-18(26)9-7-17)29-16-31(24)19-10-13-27-14-11-19/h1-7,10,13-15,19,30H,8-9,11-12H2;2-9,12,15-16,19,27H,10-11,13-14H2,1H3
InChIKeyFMKPYGAEBLWGPF-UHFFFAOYSA-N
MW928.97 g/mol
LogP10.75
Rot. Bonds11

About 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;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-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 158076388) has the molecular formula C50H45F5N10O3 and a molecular weight of 928.97 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;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-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID158076388
Molecular FormulaC50H45F5N10O3
Molecular Weight928.97 g/mol
Exact Mass928.36
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C25H21F4N5O.C25H24FN5O2/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;1-32-21-4-2-3-5-22(21)33-25-28-15-12-20(30-25)24-23(17-6-8-18(26)9-7-17)29-16-31(24)19-10-13-27-14-11-19/h1-7,10,13-15,19,30H,8-9,11-12H2;2-9,12,15-16,19,27H,10-11,13-14H2,1H3
InChIKeyFMKPYGAEBLWGPF-UHFFFAOYSA-N
XLogP10.75
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500928.97
LogP ≤ 510.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine with MolForge

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Related Compounds

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-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(4-methoxy-phenoxy)-pyrimidine
CID 9868139
2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-phenol
CID 10025752
2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 10321190
2-(4-Benzyloxy-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 15872390
2-(4-Biphenylyloxy)-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872399
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(4-phenoxy-phenoxy)-pyrimidine
CID 15872400
2-(3-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 15872404

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;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-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 158076388) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;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-(2-methoxyphenoxy)pyrimidine;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-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine is COc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.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-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is FMKPYGAEBLWGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N5O.C25H24FN5O2/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;1-32-21-4-2-3-5-22(21)33-25-28-15-12-20(30-25)24-23(17-6-8-18(26)9-7-17)29-16-31(24)19-10-13-27-14-11-19/h1-7,10,13-15,19,30H,8-9,11-12H2;2-9,12,15-16,19,27H,10-11,13-14H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;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-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 928.97 g/mol, XLogP of 10.75, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 158076388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).