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

C25H24FN5O2 — CID 15872406

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine
SMILESCOc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C25H24FN5O2/c1-32-21-4-2-3-5-22(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/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3
InChIKeyRGWJYCCSHANDCO-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.87
Rot. Bonds6

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-(2-methoxyphenoxy)pyrimidine (PubChem CID 15872406) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine
PubChem CID15872406
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine
SMILESCOc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C25H24FN5O2/c1-32-21-4-2-3-5-22(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/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3
InChIKeyRGWJYCCSHANDCO-UHFFFAOYSA-N
XLogP4.87
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
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
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-(2-methoxyphenoxy)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine (CID 15872406) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine is COc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methoxyphenoxy)pyrimidine?
The InChIKey is RGWJYCCSHANDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-32-21-4-2-3-5-22(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/h2-9,12,15-16,19,27H,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-(2-methoxyphenoxy)pyrimidine has a molecular weight of 445.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 15872406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).