4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one

C21H27FN2O2 — CID 57495593

IUPAC4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one
SMILESCN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC1(C)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2/c1-20(16-3-5-17(22)6-4-16)12-24(19(25)23(20)2)18-14-7-13-8-15(18)11-21(26,9-13)10-14/h3-6,13-15,18,26H,7-12H2,1-2H3
InChIKeyAOIGGINFWRKWRP-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.35
Rot. Bonds2

About 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one

4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one (PubChem CID 57495593) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one
PubChem CID57495593
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one
SMILESCN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC1(C)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2/c1-20(16-3-5-17(22)6-4-16)12-24(19(25)23(20)2)18-14-7-13-8-15(18)11-21(26,9-13)10-14/h3-6,13-15,18,26H,7-12H2,1-2H3
InChIKeyAOIGGINFWRKWRP-UHFFFAOYSA-N
XLogP3.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one (CID 57495593) is 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one is CN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC1(C)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one?
The InChIKey is AOIGGINFWRKWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-20(16-3-5-17(22)6-4-16)12-24(19(25)23(20)2)18-14-7-13-8-15(18)11-21(26,9-13)10-14/h3-6,13-15,18,26H,7-12H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one?
4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one has a molecular weight of 358.46 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 57495593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).