1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one

C22H28N2O2 — CID 57495538

IUPAC1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one
SMILESCN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC12Cc1ccccc1C2
InChIInChI=1S/C22H28N2O2/c1-23-20(25)24(13-21(23)9-15-4-2-3-5-16(15)10-21)19-17-6-14-7-18(19)12-22(26,8-14)11-17/h2-5,14,17-19,26H,6-13H2,1H3
InChIKeySYYLMMQFDLJMSO-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.83
Rot. Bonds1

About 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one

1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one (PubChem CID 57495538) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one.

Molecular Properties

Compound Name1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one
PubChem CID57495538
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one
SMILESCN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC12Cc1ccccc1C2
InChIInChI=1S/C22H28N2O2/c1-23-20(25)24(13-21(23)9-15-4-2-3-5-16(15)10-21)19-17-6-14-7-18(19)12-22(26,8-14)11-17/h2-5,14,17-19,26H,6-13H2,1H3
InChIKeySYYLMMQFDLJMSO-UHFFFAOYSA-N
XLogP2.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one?
The IUPAC name of 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one (CID 57495538) is 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one.
What is the SMILES notation for 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one?
The canonical SMILES for 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one is CN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC12Cc1ccccc1C2.
What is the InChIKey of 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one?
The InChIKey is SYYLMMQFDLJMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-23-20(25)24(13-21(23)9-15-4-2-3-5-16(15)10-21)19-17-6-14-7-18(19)12-22(26,8-14)11-17/h2-5,14,17-19,26H,6-13H2,1H3.
What are the key properties of 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one?
1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one has a molecular weight of 352.48 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one is sourced from PubChem (CID 57495538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).