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

C25H24FN5O — CID 15887012

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine
SMILESCc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C25H24FN5O/c1-17-4-2-3-5-22(17)32-25-28-15-12-21(30-25)24-23(18-6-8-19(26)9-7-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3
InChIKeyVHEPATGINYKFPP-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.17
Rot. Bonds5

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

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine (PubChem CID 15887012) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine
PubChem CID15887012
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine
SMILESCc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C25H24FN5O/c1-17-4-2-3-5-22(17)32-25-28-15-12-21(30-25)24-23(18-6-8-19(26)9-7-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3
InChIKeyVHEPATGINYKFPP-UHFFFAOYSA-N
XLogP5.17
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine (CID 15887012) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine is Cc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine?
The InChIKey is VHEPATGINYKFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-17-4-2-3-5-22(17)32-25-28-15-12-21(30-25)24-23(18-6-8-19(26)9-7-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(2-methylphenoxy)pyrimidine has a molecular weight of 429.50 g/mol, XLogP of 5.17, 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-(2-methylphenoxy)pyrimidine is sourced from PubChem (CID 15887012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).