5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one

C17H26N2O2 — CID 106011171

IUPAC5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one
SMILESCC(C)OCCCCN1C(=O)C(C)NC1c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-12-8-7-11-19-16(18-14(3)17(19)20)15-9-5-4-6-10-15/h4-6,9-10,13-14,16,18H,7-8,11-12H2,1-3H3
InChIKeyRWVXJGOFIPTKLG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.71
Rot. Bonds7

About 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one

5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one (PubChem CID 106011171) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one
PubChem CID106011171
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one
SMILESCC(C)OCCCCN1C(=O)C(C)NC1c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-12-8-7-11-19-16(18-14(3)17(19)20)15-9-5-4-6-10-15/h4-6,9-10,13-14,16,18H,7-8,11-12H2,1-3H3
InChIKeyRWVXJGOFIPTKLG-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
5-methyl-2-(4-methylphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983327
5-methyl-3-(3-methylbutyl)-2-phenylimidazolidin-4-one
CID 83237421
3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83237246
5-methyl-3-[2-(3-methylbutoxy)ethyl]-2-phenylimidazolidin-4-one
CID 83253155
5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264525
3-[2-(diethylamino)ethyl]-5-methyl-2-phenylimidazolidin-4-one
CID 83240103
5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767656
2-(4-methoxyphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250631
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
5-methyl-2-(4-propan-2-ylphenyl)-3-propylimidazolidin-4-one
CID 115282125
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one (CID 106011171) is 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one is CC(C)OCCCCN1C(=O)C(C)NC1c1ccccc1.
What is the InChIKey of 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one?
The InChIKey is RWVXJGOFIPTKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-12-8-7-11-19-16(18-14(3)17(19)20)15-9-5-4-6-10-15/h4-6,9-10,13-14,16,18H,7-8,11-12H2,1-3H3.
What are the key properties of 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one?
5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one is sourced from PubChem (CID 106011171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).