(2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol

C22H19FN4O2 — CID 12052053

IUPAC(2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol
SMILESC[C@@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C22H19FN4O2/c1-15(13-28)27-14-25-20(16-7-9-17(23)10-8-16)21(27)19-11-12-24-22(26-19)29-18-5-3-2-4-6-18/h2-12,14-15,28H,13H2,1H3/t15-/m0/s1
InChIKeyREGNGZSHZHUZRQ-HNNXBMFYSA-N
MW390.42 g/mol
LogP4.49
Rot. Bonds6

About (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol

(2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol (PubChem CID 12052053) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol
PubChem CID12052053
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name(2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol
SMILESC[C@@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C22H19FN4O2/c1-15(13-28)27-14-25-20(16-7-9-17(23)10-8-16)21(27)19-11-12-24-22(26-19)29-18-5-3-2-4-6-18/h2-12,14-15,28H,13H2,1H3/t15-/m0/s1
InChIKeyREGNGZSHZHUZRQ-HNNXBMFYSA-N
XLogP4.49
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol (CID 12052053) is (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol is C[C@@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1.
What is the InChIKey of (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol?
The InChIKey is REGNGZSHZHUZRQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-15(13-28)27-14-25-20(16-7-9-17(23)10-8-16)21(27)19-11-12-24-22(26-19)29-18-5-3-2-4-6-18/h2-12,14-15,28H,13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol?
(2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol has a molecular weight of 390.42 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 12052053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).