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

C19H20FN5O — CID 162676290

IUPAC5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
SMILESCOc1ncc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)cn1
InChIInChI=1S/C19H20FN5O/c1-26-19-22-10-14(11-23-19)18-17(13-2-4-15(20)5-3-13)24-12-25(18)16-6-8-21-9-7-16/h2-5,10-12,16,21H,6-9H2,1H3
InChIKeyBWYFYBZRPGFXFB-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.08
Rot. Bonds4

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

5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine (PubChem CID 162676290) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
PubChem CID162676290
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
SMILESCOc1ncc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)cn1
InChIInChI=1S/C19H20FN5O/c1-26-19-22-10-14(11-23-19)18-17(13-2-4-15(20)5-3-13)24-12-25(18)16-6-8-21-9-7-16/h2-5,10-12,16,21H,6-9H2,1H3
InChIKeyBWYFYBZRPGFXFB-UHFFFAOYSA-N
XLogP3.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine (CID 162676290) is 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine is COc1ncc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)cn1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine?
The InChIKey is BWYFYBZRPGFXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-26-19-22-10-14(11-23-19)18-17(13-2-4-15(20)5-3-13)24-12-25(18)16-6-8-21-9-7-16/h2-5,10-12,16,21H,6-9H2,1H3.
What are the key properties of 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine?
5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine has a molecular weight of 353.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine is sourced from PubChem (CID 162676290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).