2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride

C12H16ClN3O2 — CID 10612066

IUPAC2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride
SMILESCN1C(=O)N[C@](CC[NH3+])(c2ccccc2)C1=O.[Cl-]
InChIInChI=1S/C12H15N3O2.ClH/c1-15-10(16)12(7-8-13,14-11(15)17)9-5-3-2-4-6-9;/h2-6H,7-8,13H2,1H3,(H,14,17);1H/t12-;/m1./s1
InChIKeyWBUZLFJXPYPMOM-UTONKHPSSA-N
MW269.73 g/mol
LogP-3.30
Rot. Bonds3

About 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride

2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride (PubChem CID 10612066) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride.

Molecular Properties

Compound Name2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride
PubChem CID10612066
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride
SMILESCN1C(=O)N[C@](CC[NH3+])(c2ccccc2)C1=O.[Cl-]
InChIInChI=1S/C12H15N3O2.ClH/c1-15-10(16)12(7-8-13,14-11(15)17)9-5-3-2-4-6-9;/h2-6H,7-8,13H2,1H3,(H,14,17);1H/t12-;/m1./s1
InChIKeyWBUZLFJXPYPMOM-UTONKHPSSA-N
XLogP-3.30
TPSA77.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 5-3.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide
CID 22960631
5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
CID 82302226
5-(aminomethyl)-3-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 82302224
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7041273
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 136574650
6-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 17403045
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride?
The IUPAC name of 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride (CID 10612066) is 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride.
What is the SMILES notation for 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride?
The canonical SMILES for 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride is CN1C(=O)N[C@](CC[NH3+])(c2ccccc2)C1=O.[Cl-].
What is the InChIKey of 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride?
The InChIKey is WBUZLFJXPYPMOM-UTONKHPSSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c1-15-10(16)12(7-8-13,14-11(15)17)9-5-3-2-4-6-9;/h2-6H,7-8,13H2,1H3,(H,14,17);1H/t12-;/m1./s1.
What are the key properties of 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride?
2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride has a molecular weight of 269.73 g/mol, XLogP of -3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride is sourced from PubChem (CID 10612066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).