(5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione

C13H17N3O2 — CID 93320116

IUPAC(5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(c2ccc(N)cc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-8(2)7-11-12(17)16(13(18)15-11)10-5-3-9(14)4-6-10/h3-6,8,11H,7,14H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyRGEBQNNRHDAMNA-NSHDSACASA-N
MW247.30 g/mol
LogP1.74
Rot. Bonds3

About (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 93320116) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID93320116
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(c2ccc(N)cc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-8(2)7-11-12(17)16(13(18)15-11)10-5-3-9(14)4-6-10/h3-6,8,11H,7,14H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyRGEBQNNRHDAMNA-NSHDSACASA-N
XLogP1.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide
CID 70432504
(5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 7734535
3-(2-methoxyphenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 43558028
(5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione
CID 7097007
3-(4-fluorophenyl)-5-(methoxymethyl)imidazolidine-2,4-dione
CID 81082365
1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64970831
1-(4-chlorophenyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64961189
(5S)-3-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604902
3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride
CID 44604673
5-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 62478264
(5R)-3-(4-aminophenyl)-5-(2-chlorophenyl)imidazolidine-2,4-dione
CID 107432743
3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 43624651

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 93320116) is (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(c2ccc(N)cc2)C1=O.
What is the InChIKey of (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is RGEBQNNRHDAMNA-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)7-11-12(17)16(13(18)15-11)10-5-3-9(14)4-6-10/h3-6,8,11H,7,14H2,1-2H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 247.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-aminophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 93320116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).