2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol

C22H19FN4O3 — CID 23147853

IUPAC2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
SMILESOCC(CO)n1c(-c2ccnc(Oc3ccccc3)n2)cnc1-c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O3/c23-16-8-6-15(7-9-16)21-25-12-20(27(21)17(13-28)14-29)19-10-11-24-22(26-19)30-18-4-2-1-3-5-18/h1-12,17,28-29H,13-14H2
InChIKeyFCCGBFJGBRVREH-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.46
Rot. Bonds7

About 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol

2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol (PubChem CID 23147853) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
PubChem CID23147853
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
SMILESOCC(CO)n1c(-c2ccnc(Oc3ccccc3)n2)cnc1-c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O3/c23-16-8-6-15(7-9-16)21-25-12-20(27(21)17(13-28)14-29)19-10-11-24-22(26-19)30-18-4-2-1-3-5-18/h1-12,17,28-29H,13-14H2
InChIKeyFCCGBFJGBRVREH-UHFFFAOYSA-N
XLogP3.46
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2g
CID 5329420
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]-2-(2-Methoxyphenoxy)pyrimidine
CID 15872406
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(4-methoxy-phenoxy)-pyrimidine
CID 9868139
N-(2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-phenyl)-acetamide
CID 9869403
2-(2,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9889622
1-((1,2-diphenyl-1H-imidazol-4-yl)methyl)-4-(2-methoxyphenyl)piperazine
CID 10025385
2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-phenol
CID 10025752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol (CID 23147853) is 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol is OCC(CO)n1c(-c2ccnc(Oc3ccccc3)n2)cnc1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol?
The InChIKey is FCCGBFJGBRVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c23-16-8-6-15(7-9-16)21-25-12-20(27(21)17(13-28)14-29)19-10-11-24-22(26-19)30-18-4-2-1-3-5-18/h1-12,17,28-29H,13-14H2.
What are the key properties of 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol?
2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol has a molecular weight of 406.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 23147853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).