5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one

C11H13N3O — CID 35140530

IUPAC5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one
SMILES[H]/N=C1/N(c2ccccc2)C(=O)NC1(C)C
InChIInChI=1S/C11H13N3O/c1-11(2)9(12)14(10(15)13-11)8-6-4-3-5-7-8/h3-7,12H,1-2H3,(H,13,15)/b12-9+
InChIKeyOOHJEZDNDDMHMG-FMIVXFBMSA-N
MW203.25 g/mol
LogP1.97
Rot. Bonds1

About 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one

5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one (PubChem CID 35140530) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one.

Molecular Properties

Compound Name5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one
PubChem CID35140530
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one
SMILES[H]/N=C1/N(c2ccccc2)C(=O)NC1(C)C
InChIInChI=1S/C11H13N3O/c1-11(2)9(12)14(10(15)13-11)8-6-4-3-5-7-8/h3-7,12H,1-2H3,(H,13,15)/b12-9+
InChIKeyOOHJEZDNDDMHMG-FMIVXFBMSA-N
XLogP1.97
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79801017
4-(5-imino-4,4-dimethyl-2-oxoimidazolidin-1-yl)-2-(trifluoromethyl)benzene-3-ide-1-carbonitrile;yttrium
CID 88561562
1-phenylpyrrole-2,5-diimine
CID 146710900
(3aR,4S,7S,7aS)-4,7-dimethyl-2-phenyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721737
5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione
CID 75080808
1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
CID 12774190
3'-phenylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
CID 146087793
4-imino-1-phenylimidazolidin-2-one
CID 152750114
5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 132520379
(6E)-5-imino-3,3-dimethyl-6-(methylaminomethylidene)-4-(3-methylbutyl)-1-phenylpiperazin-2-one
CID 136608855
(1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione
CID 101099041
1-(3,4-difluorophenyl)-5-imino-3-phenylimidazolidine-2,4-dione
CID 134088027

Frequently Asked Questions

What is the IUPAC name of 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one?
The IUPAC name of 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one (CID 35140530) is 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one.
What is the SMILES notation for 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one?
The canonical SMILES for 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one is [H]/N=C1/N(c2ccccc2)C(=O)NC1(C)C.
What is the InChIKey of 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one?
The InChIKey is OOHJEZDNDDMHMG-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2)9(12)14(10(15)13-11)8-6-4-3-5-7-8/h3-7,12H,1-2H3,(H,13,15)/b12-9+.
What are the key properties of 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one?
5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one is sourced from PubChem (CID 35140530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).