3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one

C18H28N2O — CID 24964436

IUPAC3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one
SMILESCC(C)(C)Cc1cn(C2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C18H28N2O/c1-18(2,3)9-15-10-20(17(21)19-15)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-14,16H,4-9H2,1-3H3,(H,19,21)
InChIKeyZBQDWGWZIOZWND-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.76
Rot. Bonds2

About 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one

3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one (PubChem CID 24964436) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one
PubChem CID24964436
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one
SMILESCC(C)(C)Cc1cn(C2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C18H28N2O/c1-18(2,3)9-15-10-20(17(21)19-15)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-14,16H,4-9H2,1-3H3,(H,19,21)
InChIKeyZBQDWGWZIOZWND-UHFFFAOYSA-N
XLogP3.76
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one (CID 24964436) is 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one is CC(C)(C)Cc1cn(C2C3CC4CC(C3)CC2C4)c(=O)[nH]1.
What is the InChIKey of 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one?
The InChIKey is ZBQDWGWZIOZWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)9-15-10-20(17(21)19-15)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-14,16H,4-9H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one?
3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one has a molecular weight of 288.43 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-5-(2,2-dimethylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 24964436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).