3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one

C17H26N2O — CID 24964430

IUPAC3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one
SMILESCC(C)(C)c1cn(C2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-9-19(16(20)18-14)15-12-5-10-4-11(7-12)8-13(15)6-10/h9-13,15H,4-8H2,1-3H3,(H,18,20)
InChIKeyGBMJFPDFDWAPNW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.47
Rot. Bonds1

About 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one

3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one (PubChem CID 24964430) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one
PubChem CID24964430
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one
SMILESCC(C)(C)c1cn(C2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-9-19(16(20)18-14)15-12-5-10-4-11(7-12)8-13(15)6-10/h9-13,15H,4-8H2,1-3H3,(H,18,20)
InChIKeyGBMJFPDFDWAPNW-UHFFFAOYSA-N
XLogP3.47
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.47
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-tert-butyl-1H-imidazol-2-one?
The IUPAC name of 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one (CID 24964430) is 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one?
The canonical SMILES for 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one is CC(C)(C)c1cn(C2C3CC4CC(C3)CC2C4)c(=O)[nH]1.
What is the InChIKey of 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one?
The InChIKey is GBMJFPDFDWAPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)14-9-19(16(20)18-14)15-12-5-10-4-11(7-12)8-13(15)6-10/h9-13,15H,4-8H2,1-3H3,(H,18,20).
What are the key properties of 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one?
3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one has a molecular weight of 274.41 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-5-tert-butyl-1H-imidazol-2-one is sourced from PubChem (CID 24964430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).