4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one

C20H20FN3O2 — CID 22574143

IUPAC4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2c(-c3ccc(F)cc3)nc(C3CCCCC3)n2O)cc[nH]1
InChIInChI=1S/C20H20FN3O2/c21-16-8-6-13(7-9-16)18-19(15-10-11-22-17(25)12-15)24(26)20(23-18)14-4-2-1-3-5-14/h6-12,14,26H,1-5H2,(H,22,25)
InChIKeyGOLCAZHYZGHQGZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.33
Rot. Bonds3

About 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one

4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one (PubChem CID 22574143) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one
PubChem CID22574143
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2c(-c3ccc(F)cc3)nc(C3CCCCC3)n2O)cc[nH]1
InChIInChI=1S/C20H20FN3O2/c21-16-8-6-13(7-9-16)18-19(15-10-11-22-17(25)12-15)24(26)20(23-18)14-4-2-1-3-5-14/h6-12,14,26H,1-5H2,(H,22,25)
InChIKeyGOLCAZHYZGHQGZ-UHFFFAOYSA-N
XLogP4.33
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one (CID 22574143) is 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one is O=c1cc(-c2c(-c3ccc(F)cc3)nc(C3CCCCC3)n2O)cc[nH]1.
What is the InChIKey of 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one?
The InChIKey is GOLCAZHYZGHQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-8-6-13(7-9-16)18-19(15-10-11-22-17(25)12-15)24(26)20(23-18)14-4-2-1-3-5-14/h6-12,14,26H,1-5H2,(H,22,25).
What are the key properties of 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one?
4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one has a molecular weight of 353.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclohexyl-5-(4-fluorophenyl)-3-hydroxyimidazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 22574143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).