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

C24H21F2N5O — CID 15872404

IUPAC2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H21F2N5O/c25-17-6-4-16(5-7-17)22-23(31(15-29-22)19-8-11-27-12-9-19)21-10-13-28-24(30-21)32-20-3-1-2-18(26)14-20/h1-7,10,13-15,19,27H,8-9,11-12H2
InChIKeyAKMVOBFZFANXPT-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.00
Rot. Bonds5

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

2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (PubChem CID 15872404) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
PubChem CID15872404
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H21F2N5O/c25-17-6-4-16(5-7-17)22-23(31(15-29-22)19-8-11-27-12-9-19)21-10-13-28-24(30-21)32-20-3-1-2-18(26)14-20/h1-7,10,13-15,19,27H,8-9,11-12H2
InChIKeyAKMVOBFZFANXPT-UHFFFAOYSA-N
XLogP5.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The IUPAC name of 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (CID 15872404) is 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The canonical SMILES for 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The InChIKey is AKMVOBFZFANXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-17-6-4-16(5-7-17)22-23(31(15-29-22)19-8-11-27-12-9-19)21-10-13-28-24(30-21)32-20-3-1-2-18(26)14-20/h1-7,10,13-15,19,27H,8-9,11-12H2.
What are the key properties of 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine has a molecular weight of 433.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is sourced from PubChem (CID 15872404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).