4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine

C24H22FN5O — CID 57245010

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine
SMILESFc1ccc(-c2ncn(N3CCCCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H22FN5O/c25-19-11-9-18(10-12-19)22-23(30(17-27-22)29-15-5-2-6-16-29)21-13-14-26-24(28-21)31-20-7-3-1-4-8-20/h1,3-4,7-14,17H,2,5-6,15-16H2
InChIKeyMKLIZBMZFNMBNN-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.06
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine

4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine (PubChem CID 57245010) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine
PubChem CID57245010
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine
SMILESFc1ccc(-c2ncn(N3CCCCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H22FN5O/c25-19-11-9-18(10-12-19)22-23(30(17-27-22)29-15-5-2-6-16-29)21-13-14-26-24(28-21)31-20-7-3-1-4-8-20/h1,3-4,7-14,17H,2,5-6,15-16H2
InChIKeyMKLIZBMZFNMBNN-UHFFFAOYSA-N
XLogP5.06
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol
CID 12052053
(2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol
CID 12052070
4-[(3S)-3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butyl]morpholine
CID 22901543
2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol
CID 18387901
methyl 2-(4-fluorophenyl)-1-oxo-3-(2-phenoxypyrimidin-4-yl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-5-carboxylate
CID 23526880
4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol
CID 69102308
2-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
CID 10182266
2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
CID 10273634
[6-(4-fluorophenyl)-5-oxo-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-2-yl] 2,2-dimethylpropanoate
CID 59654210
4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
CID 10160175
2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 23147853
2-(3,5-difluorophenoxy)-4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
CID 155646061

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine (CID 57245010) is 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine is Fc1ccc(-c2ncn(N3CCCCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine?
The InChIKey is MKLIZBMZFNMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-19-11-9-18(10-12-19)22-23(30(17-27-22)29-15-5-2-6-16-29)21-13-14-26-24(28-21)31-20-7-3-1-4-8-20/h1,3-4,7-14,17H,2,5-6,15-16H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine has a molecular weight of 415.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-1-ylimidazol-4-yl]-2-phenoxypyrimidine is sourced from PubChem (CID 57245010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).