(5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione

C10H12N4O2 — CID 96581760

IUPAC(5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(N)cc2)NC(=O)N(N)C1=O
InChIInChI=1S/C10H12N4O2/c1-10(6-2-4-7(11)5-3-6)8(15)14(12)9(16)13-10/h2-5H,11-12H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyBZQHSRKIFGNKTN-JTQLQIEISA-N
MW220.23 g/mol
LogP-0.09
Rot. Bonds1

About (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 96581760) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID96581760
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name(5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(N)cc2)NC(=O)N(N)C1=O
InChIInChI=1S/C10H12N4O2/c1-10(6-2-4-7(11)5-3-6)8(15)14(12)9(16)13-10/h2-5H,11-12H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyBZQHSRKIFGNKTN-JTQLQIEISA-N
XLogP-0.09
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246599
2-[(4S)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246600
N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119549660
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
(5R)-5-methyl-3-(3-oxobutyl)-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7571644
4-[(4S)-4-methyl-1-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 94180306
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2691171
4-[(4R)-4-methyl-1-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 94180307

Frequently Asked Questions

What is the IUPAC name of (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione (CID 96581760) is (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccc(N)cc2)NC(=O)N(N)C1=O.
What is the InChIKey of (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is BZQHSRKIFGNKTN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12N4O2/c1-10(6-2-4-7(11)5-3-6)8(15)14(12)9(16)13-10/h2-5H,11-12H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 96581760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).