1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one

C20H25FN2O2 — CID 68903608

IUPAC1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one
SMILESCC1CN(C2C3CC4CC2C(c2ccccc2F)C(O)(C4)C3)C(=O)N1
InChIInChI=1S/C20H25FN2O2/c1-11-10-23(19(24)22-11)18-13-6-12-7-15(18)17(20(25,8-12)9-13)14-4-2-3-5-16(14)21/h2-5,11-13,15,17-18,25H,6-10H2,1H3,(H,22,24)
InChIKeyOJYSKUPQOBTZSF-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.87
Rot. Bonds2

About 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one

1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one (PubChem CID 68903608) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one
PubChem CID68903608
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one
SMILESCC1CN(C2C3CC4CC2C(c2ccccc2F)C(O)(C4)C3)C(=O)N1
InChIInChI=1S/C20H25FN2O2/c1-11-10-23(19(24)22-11)18-13-6-12-7-15(18)17(20(25,8-12)9-13)14-4-2-3-5-16(14)21/h2-5,11-13,15,17-18,25H,6-10H2,1H3,(H,22,24)
InChIKeyOJYSKUPQOBTZSF-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one (CID 68903608) is 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one is CC1CN(C2C3CC4CC2C(c2ccccc2F)C(O)(C4)C3)C(=O)N1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one?
The InChIKey is OJYSKUPQOBTZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-11-10-23(19(24)22-11)18-13-6-12-7-15(18)17(20(25,8-12)9-13)14-4-2-3-5-16(14)21/h2-5,11-13,15,17-18,25H,6-10H2,1H3,(H,22,24).
What are the key properties of 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one?
1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one has a molecular weight of 344.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 68903608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).