1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one

C21H28N2O3 — CID 57495574

IUPAC1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one
SMILESCOc1ccccc1C1(C)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1
InChIInChI=1S/C21H28N2O3/c1-20(16-5-3-4-6-17(16)26-2)12-23(19(24)22-20)18-14-7-13-8-15(18)11-21(25,9-13)10-14/h3-6,13-15,18,25H,7-12H2,1-2H3,(H,22,24)
InChIKeyIIVPTPUUHJTEDB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.88
Rot. Bonds3

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

1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one (PubChem CID 57495574) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one
PubChem CID57495574
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one
SMILESCOc1ccccc1C1(C)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1
InChIInChI=1S/C21H28N2O3/c1-20(16-5-3-4-6-17(16)26-2)12-23(19(24)22-20)18-14-7-13-8-15(18)11-21(25,9-13)10-14/h3-6,13-15,18,25H,7-12H2,1-2H3,(H,22,24)
InChIKeyIIVPTPUUHJTEDB-UHFFFAOYSA-N
XLogP2.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-5-hydroxy-2-adamantyl]-1-(2-methoxyphenyl)-5,5-dimethyl-1,2,4-triazolidin-3-one
CID 163976585
1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57495585
5-(5-hydroxy-2-adamantyl)-1-(2-methoxyphenyl)-8,8-dimethyl-6,7-dihydropyrazolo[4,5-c]azepin-4-one
CID 71718928
1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one
CID 57495538
1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
CID 57495541
4-[(4S)-4-(3-chlorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxylic acid
CID 123256079
1-[(1S,3S)-5-hydroxy-2-adamantyl]-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one
CID 46185877
1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one
CID 59361492
2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one
CID 67303423
2-(5-chloro-2-adamantyl)-1-(2-methoxyphenyl)-4,4-dimethyldiazetidin-3-one
CID 59361503
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
CID 90134971

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one?
The IUPAC name of 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one (CID 57495574) is 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one is COc1ccccc1C1(C)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1.
What is the InChIKey of 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one?
The InChIKey is IIVPTPUUHJTEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-20(16-5-3-4-6-17(16)26-2)12-23(19(24)22-20)18-14-7-13-8-15(18)11-21(25,9-13)10-14/h3-6,13-15,18,25H,7-12H2,1-2H3,(H,22,24).
What are the key properties of 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one?
1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-adamantyl)-4-(2-methoxyphenyl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 57495574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).