4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol

C25H23FN4O2 — CID 69102308

IUPAC4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Oc4ccccc4)n3)[nH]2)CC1
InChIInChI=1S/C25H23FN4O2/c26-18-10-6-16(7-11-18)22-23(30-24(29-22)17-8-12-19(31)13-9-17)21-14-15-27-25(28-21)32-20-4-2-1-3-5-20/h1-7,10-11,14-15,17,19,31H,8-9,12-13H2,(H,29,30)
InChIKeyKCBSPKWJCGQYLU-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.48
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol

4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol (PubChem CID 69102308) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol
PubChem CID69102308
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Oc4ccccc4)n3)[nH]2)CC1
InChIInChI=1S/C25H23FN4O2/c26-18-10-6-16(7-11-18)22-23(30-24(29-22)17-8-12-19(31)13-9-17)21-14-15-27-25(28-21)32-20-4-2-1-3-5-20/h1-7,10-11,14-15,17,19,31H,8-9,12-13H2,(H,29,30)
InChIKeyKCBSPKWJCGQYLU-UHFFFAOYSA-N
XLogP5.48
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol (CID 69102308) is 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol is OC1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Oc4ccccc4)n3)[nH]2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol?
The InChIKey is KCBSPKWJCGQYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-18-10-6-16(7-11-18)22-23(30-24(29-22)17-8-12-19(31)13-9-17)21-14-15-27-25(28-21)32-20-4-2-1-3-5-20/h1-7,10-11,14-15,17,19,31H,8-9,12-13H2,(H,29,30).
What are the key properties of 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol?
4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol has a molecular weight of 430.48 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69102308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).