4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine

C18H18FN5O — CID 71924502

IUPAC4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESFc1ccc(Oc2ccnc(N3CCCCC3c3ncc[nH]3)n2)cc1
InChIInChI=1S/C18H18FN5O/c19-13-4-6-14(7-5-13)25-16-8-9-22-18(23-16)24-12-2-1-3-15(24)17-20-10-11-21-17/h4-11,15H,1-3,12H2,(H,20,21)
InChIKeyCASZSJDLOLIEMD-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.86
Rot. Bonds4

About 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine

4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 71924502) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID71924502
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESFc1ccc(Oc2ccnc(N3CCCCC3c3ncc[nH]3)n2)cc1
InChIInChI=1S/C18H18FN5O/c19-13-4-6-14(7-5-13)25-16-8-9-22-18(23-16)24-12-2-1-3-15(24)17-20-10-11-21-17/h4-11,15H,1-3,12H2,(H,20,21)
InChIKeyCASZSJDLOLIEMD-UHFFFAOYSA-N
XLogP3.86
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine (CID 71924502) is 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine is Fc1ccc(Oc2ccnc(N3CCCCC3c3ncc[nH]3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is CASZSJDLOLIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-13-4-6-14(7-5-13)25-16-8-9-22-18(23-16)24-12-2-1-3-15(24)17-20-10-11-21-17/h4-11,15H,1-3,12H2,(H,20,21).
What are the key properties of 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 71924502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).