(2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol

C23H21FN4O2 — CID 12052070

IUPAC(2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol
SMILESCC[C@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C23H21FN4O2/c1-2-18(14-29)28-15-26-21(16-8-10-17(24)11-9-16)22(28)20-12-13-25-23(27-20)30-19-6-4-3-5-7-19/h3-13,15,18,29H,2,14H2,1H3/t18-/m1/s1
InChIKeyZOGYSEVPQLGAEE-GOSISDBHSA-N
MW404.45 g/mol
LogP4.88
Rot. Bonds7

About (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol

(2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol (PubChem CID 12052070) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol
PubChem CID12052070
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name(2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol
SMILESCC[C@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C23H21FN4O2/c1-2-18(14-29)28-15-26-21(16-8-10-17(24)11-9-16)22(28)20-12-13-25-23(27-20)30-19-6-4-3-5-7-19/h3-13,15,18,29H,2,14H2,1H3/t18-/m1/s1
InChIKeyZOGYSEVPQLGAEE-GOSISDBHSA-N
XLogP4.88
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol?
The IUPAC name of (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol (CID 12052070) is (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol.
What is the SMILES notation for (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol?
The canonical SMILES for (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol is CC[C@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1.
What is the InChIKey of (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol?
The InChIKey is ZOGYSEVPQLGAEE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-2-18(14-29)28-15-26-21(16-8-10-17(24)11-9-16)22(28)20-12-13-25-23(27-20)30-19-6-4-3-5-7-19/h3-13,15,18,29H,2,14H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol?
(2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol has a molecular weight of 404.45 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol is sourced from PubChem (CID 12052070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).