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

C24H22FN5O — CID 15872388

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H22FN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2
InChIKeyMLNSFBMGRWGGII-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.86
Rot. Bonds5

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

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine (PubChem CID 15872388) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine
PubChem CID15872388
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H22FN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2
InChIKeyMLNSFBMGRWGGII-UHFFFAOYSA-N
XLogP4.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.86
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-phenoxypyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine (CID 15872388) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine?
The InChIKey is MLNSFBMGRWGGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine has a molecular weight of 415.47 g/mol, XLogP of 4.86, 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-phenoxypyrimidine is sourced from PubChem (CID 15872388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).