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

C25H23FN4O2 — CID 15872393

IUPAC4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C25H23FN4O2/c26-18-8-6-17(7-9-18)23-24(30(16-28-23)19-10-12-20(31)13-11-19)22-14-15-27-25(29-22)32-21-4-2-1-3-5-21/h1-9,14-16,19-20,31H,10-13H2
InChIKeyQCCHTJJIGJZMFN-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.41
Rot. Bonds5

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

4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol (PubChem CID 15872393) 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)imidazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol
PubChem CID15872393
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C25H23FN4O2/c26-18-8-6-17(7-9-18)23-24(30(16-28-23)19-10-12-20(31)13-11-19)22-14-15-27-25(29-22)32-21-4-2-1-3-5-21/h1-9,14-16,19-20,31H,10-13H2
InChIKeyQCCHTJJIGJZMFN-UHFFFAOYSA-N
XLogP5.41
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol (CID 15872393) is 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol is OC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)n2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol?
The InChIKey is QCCHTJJIGJZMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-18-8-6-17(7-9-18)23-24(30(16-28-23)19-10-12-20(31)13-11-19)22-14-15-27-25(29-22)32-21-4-2-1-3-5-21/h1-9,14-16,19-20,31H,10-13H2.
What are the key properties of 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol?
4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol has a molecular weight of 430.48 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15872393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).