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

C25H24FN5O2 — CID 15872398

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C25H24FN5O2/c1-32-20-3-2-4-21(15-20)33-25-28-14-11-22(30-25)24-23(17-5-7-18(26)8-6-17)29-16-31(24)19-9-12-27-13-10-19/h2-8,11,14-16,19,27H,9-10,12-13H2,1H3
InChIKeyVSEXCRCUHFHFTK-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.87
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine (PubChem CID 15872398) 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-(3-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine
PubChem CID15872398
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C25H24FN5O2/c1-32-20-3-2-4-21(15-20)33-25-28-14-11-22(30-25)24-23(17-5-7-18(26)8-6-17)29-16-31(24)19-9-12-27-13-10-19/h2-8,11,14-16,19,27H,9-10,12-13H2,1H3
InChIKeyVSEXCRCUHFHFTK-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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine (CID 15872398) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine is COc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine?
The InChIKey is VSEXCRCUHFHFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-32-20-3-2-4-21(15-20)33-25-28-14-11-22(30-25)24-23(17-5-7-18(26)8-6-17)29-16-31(24)19-9-12-27-13-10-19/h2-8,11,14-16,19,27H,9-10,12-13H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-methoxyphenoxy)pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(3-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-(3-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 15872398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).