(1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide

C11H12N3O2- — CID 22960631

IUPAC(1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide
SMILESCN1C(=O)NC(C[NH-])(c2ccccc2)C1=O
InChIInChI=1S/C11H12N3O2/c1-14-9(15)11(7-12,13-10(14)16)8-5-3-2-4-6-8/h2-6,12H,7H2,1H3,(H,13,16)/q-1
InChIKeyGJLLCSLUWSWRGR-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.12
Rot. Bonds2

About (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide

(1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide (PubChem CID 22960631) has the molecular formula C11H12N3O2- and a molecular weight of 218.24 g/mol. Its IUPAC name is (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide.

Molecular Properties

Compound Name(1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide
PubChem CID22960631
Molecular FormulaC11H12N3O2-
Molecular Weight218.24 g/mol
Exact Mass218.09
IUPAC Name(1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide
SMILESCN1C(=O)NC(C[NH-])(c2ccccc2)C1=O
InChIInChI=1S/C11H12N3O2/c1-14-9(15)11(7-12,13-10(14)16)8-5-3-2-4-6-8/h2-6,12H,7H2,1H3,(H,13,16)/q-1
InChIKeyGJLLCSLUWSWRGR-UHFFFAOYSA-N
XLogP1.12
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride
CID 10612066
5-(aminomethyl)-3-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 82302224
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
CID 82302226
5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
CID 82295798
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
5-ethyl-5-phenyl-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71954685
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
CID 161316865
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide?
The IUPAC name of (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide (CID 22960631) is (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide.
What is the SMILES notation for (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide?
The canonical SMILES for (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide is CN1C(=O)NC(C[NH-])(c2ccccc2)C1=O.
What is the InChIKey of (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide?
The InChIKey is GJLLCSLUWSWRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O2/c1-14-9(15)11(7-12,13-10(14)16)8-5-3-2-4-6-8/h2-6,12H,7H2,1H3,(H,13,16)/q-1.
What are the key properties of (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide?
(1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide has a molecular weight of 218.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl)methylazanide is sourced from PubChem (CID 22960631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).