1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one

C17H28N2O — CID 24966210

IUPAC1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one
SMILESCC(C)CC1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1
InChIInChI=1S/C17H28N2O/c1-10(2)3-15-9-19(17(20)18-15)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16H,3-9H2,1-2H3,(H,18,20)
InChIKeySBXXSLRWSLQYLF-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one

1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one (PubChem CID 24966210) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one
PubChem CID24966210
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one
SMILESCC(C)CC1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1
InChIInChI=1S/C17H28N2O/c1-10(2)3-15-9-19(17(20)18-15)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16H,3-9H2,1-2H3,(H,18,20)
InChIKeySBXXSLRWSLQYLF-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-Adamantyl)-3-pentyl-urea
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1-(2-Adamantyl)-3-tert-butyl-urea
CID 56673016
4-(1-Adamantyl)imidazolin-2-one
CID 44430180
N-2-adamantyl-2-(1-pyrrolidinyl)acetamide hydrochloride
CID 2941483
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CID 3420367

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one (CID 24966210) is 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one is CC(C)CC1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1.
What is the InChIKey of 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is SBXXSLRWSLQYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-10(2)3-15-9-19(17(20)18-15)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16H,3-9H2,1-2H3,(H,18,20).
What are the key properties of 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one?
1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 276.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 24966210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).