1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one

C14H21N3O — CID 113326184

IUPAC1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one
SMILESCCC(C)CN1CCN(c2ccccc2N)C1=O
InChIInChI=1S/C14H21N3O/c1-3-11(2)10-16-8-9-17(14(16)18)13-7-5-4-6-12(13)15/h4-7,11H,3,8-10,15H2,1-2H3
InChIKeyIQUQUWGMKKIAMP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one

1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one (PubChem CID 113326184) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one
PubChem CID113326184
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one
SMILESCCC(C)CN1CCN(c2ccccc2N)C1=O
InChIInChI=1S/C14H21N3O/c1-3-11(2)10-16-8-9-17(14(16)18)13-7-5-4-6-12(13)15/h4-7,11H,3,8-10,15H2,1-2H3
InChIKeyIQUQUWGMKKIAMP-UHFFFAOYSA-N
XLogP2.56
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-3-propylimidazolidin-2-one
CID 115512827
1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one
CID 106724738
1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 115512876
1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
CID 115513903
1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 115512911
1-(2-aminophenyl)-3-[2-(2-hydroxyethoxy)ethyl]imidazolidin-2-one
CID 115512904
1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one
CID 115512912
1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one
CID 106704854
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one
CID 118937567
1-(2-hydroxyphenyl)-3-[2-(methylamino)ethyl]imidazolidin-2-one
CID 84797425
3-[3-(2-fluorophenyl)-2-oxo-1,3-diazinan-1-yl]-2-methylpropanoic acid
CID 67661314
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one (CID 113326184) is 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one is CCC(C)CN1CCN(c2ccccc2N)C1=O.
What is the InChIKey of 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one?
The InChIKey is IQUQUWGMKKIAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11(2)10-16-8-9-17(14(16)18)13-7-5-4-6-12(13)15/h4-7,11H,3,8-10,15H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one?
1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one is sourced from PubChem (CID 113326184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).