5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one

C15H28N2O — CID 83258955

IUPAC5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
SMILESCC(C)CC1NCN(CC2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C15H28N2O/c1-10(2)7-11-13(18)17(9-16-11)8-12-14(3,4)15(12,5)6/h10-12,16H,7-9H2,1-6H3
InChIKeyAPNDSOBZEAEYQT-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.47
Rot. Bonds4

About 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one

5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one (PubChem CID 83258955) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
PubChem CID83258955
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
SMILESCC(C)CC1NCN(CC2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C15H28N2O/c1-10(2)7-11-13(18)17(9-16-11)8-12-14(3,4)15(12,5)6/h10-12,16H,7-9H2,1-6H3
InChIKeyAPNDSOBZEAEYQT-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one (CID 83258955) is 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one is CC(C)CC1NCN(CC2C(C)(C)C2(C)C)C1=O.
What is the InChIKey of 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one?
The InChIKey is APNDSOBZEAEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10(2)7-11-13(18)17(9-16-11)8-12-14(3,4)15(12,5)6/h10-12,16H,7-9H2,1-6H3.
What are the key properties of 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one?
5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one has a molecular weight of 252.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83258955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).