(5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione

C17H18N4O2 — CID 143510584

IUPAC(5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCN(N)c1ccc(-c2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C17H18N4O2/c1-17(15(22)19-16(23)20-17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)21(2)18/h3-10H,18H2,1-2H3,(H2,19,20,22,23)/t17-/m0/s1
InChIKeyAFTBUTBUZLKHJU-KRWDZBQOSA-N
MW310.36 g/mol
LogP1.72
Rot. Bonds3

About (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 143510584) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID143510584
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCN(N)c1ccc(-c2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C17H18N4O2/c1-17(15(22)19-16(23)20-17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)21(2)18/h3-10H,18H2,1-2H3,(H2,19,20,22,23)/t17-/m0/s1
InChIKeyAFTBUTBUZLKHJU-KRWDZBQOSA-N
XLogP1.72
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
CID 2387110
5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 4962033
(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
CID 70910719
5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione
CID 82130700
5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 120859710
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione
CID 66598407
5-(2,2-dimethyl-3H-1-benzofuran-6-yl)-5-methylimidazolidine-2,4-dione
CID 66904871
(5R)-5-methyl-5-[4-(3-methylbutyl)phenyl]imidazolidine-2,4-dione
CID 767950
2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid
CID 124523212
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166182728
2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid
CID 120513707

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 143510584) is (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione is CN(N)c1ccc(-c2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1.
What is the InChIKey of (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AFTBUTBUZLKHJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(15(22)19-16(23)20-17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)21(2)18/h3-10H,18H2,1-2H3,(H2,19,20,22,23)/t17-/m0/s1.
What are the key properties of (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 310.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 143510584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).