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

C20H24F2N2O2 — CID 68903646

IUPAC1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one
SMILESCC1CN(C2C3CC4CC2C(c2ccc(F)cc2F)C(O)(C4)C3)C(=O)N1
InChIInChI=1S/C20H24F2N2O2/c1-10-9-24(19(25)23-10)18-12-4-11-5-15(18)17(20(26,7-11)8-12)14-3-2-13(21)6-16(14)22/h2-3,6,10-12,15,17-18,26H,4-5,7-9H2,1H3,(H,23,25)
InChIKeyHNABBAXIYWLLLN-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.01
Rot. Bonds2

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

1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one (PubChem CID 68903646) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one
PubChem CID68903646
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one
SMILESCC1CN(C2C3CC4CC2C(c2ccc(F)cc2F)C(O)(C4)C3)C(=O)N1
InChIInChI=1S/C20H24F2N2O2/c1-10-9-24(19(25)23-10)18-12-4-11-5-15(18)17(20(26,7-11)8-12)14-3-2-13(21)6-16(14)22/h2-3,6,10-12,15,17-18,26H,4-5,7-9H2,1H3,(H,23,25)
InChIKeyHNABBAXIYWLLLN-UHFFFAOYSA-N
XLogP3.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one (CID 68903646) is 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one is CC1CN(C2C3CC4CC2C(c2ccc(F)cc2F)C(O)(C4)C3)C(=O)N1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one?
The InChIKey is HNABBAXIYWLLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-10-9-24(19(25)23-10)18-12-4-11-5-15(18)17(20(26,7-11)8-12)14-3-2-13(21)6-16(14)22/h2-3,6,10-12,15,17-18,26H,4-5,7-9H2,1H3,(H,23,25).
What are the key properties of 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one?
1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one has a molecular weight of 362.42 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 1-[4-(2,4-difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 68903646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).