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

C20H25FN2O2 — CID 57495578

IUPAC4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
SMILESCC1(c2cccc(F)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1
InChIInChI=1S/C20H25FN2O2/c1-19(15-3-2-4-16(21)7-15)11-23(18(24)22-19)17-13-5-12-6-14(17)10-20(25,8-12)9-13/h2-4,7,12-14,17,25H,5-6,8-11H2,1H3,(H,22,24)
InChIKeyQKXLZIKUXVJEQG-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.01
Rot. Bonds2

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

4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one (PubChem CID 57495578) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
PubChem CID57495578
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
SMILESCC1(c2cccc(F)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1
InChIInChI=1S/C20H25FN2O2/c1-19(15-3-2-4-16(21)7-15)11-23(18(24)22-19)17-13-5-12-6-14(17)10-20(25,8-12)9-13/h2-4,7,12-14,17,25H,5-6,8-11H2,1H3,(H,22,24)
InChIKeyQKXLZIKUXVJEQG-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one (CID 57495578) is 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one is CC1(c2cccc(F)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1.
What is the InChIKey of 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one?
The InChIKey is QKXLZIKUXVJEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-19(15-3-2-4-16(21)7-15)11-23(18(24)22-19)17-13-5-12-6-14(17)10-20(25,8-12)9-13/h2-4,7,12-14,17,25H,5-6,8-11H2,1H3,(H,22,24).
What are the key properties of 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one?
4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one has a molecular weight of 344.43 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 57495578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).