5-imino-1,4-dimethylimidazolidin-2-one

C5H9N3O — CID 166799040

IUPAC5-imino-1,4-dimethylimidazolidin-2-one
SMILES[H]/N=C1/C(C)NC(=O)N1C
InChIInChI=1S/C5H9N3O/c1-3-4(6)8(2)5(9)7-3/h3,6H,1-2H3,(H,7,9)/b6-4-
InChIKeyIDGMBPJOLWDPCS-XQRVVYSFSA-N
MW127.15 g/mol
LogP0.01
Rot. Bonds

About 5-imino-1,4-dimethylimidazolidin-2-one

5-imino-1,4-dimethylimidazolidin-2-one (PubChem CID 166799040) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-imino-1,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name5-imino-1,4-dimethylimidazolidin-2-one
PubChem CID166799040
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-imino-1,4-dimethylimidazolidin-2-one
SMILES[H]/N=C1/C(C)NC(=O)N1C
InChIInChI=1S/C5H9N3O/c1-3-4(6)8(2)5(9)7-3/h3,6H,1-2H3,(H,7,9)/b6-4-
InChIKeyIDGMBPJOLWDPCS-XQRVVYSFSA-N
XLogP0.01
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-imino-1,4-dimethylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-methyl-2,5-dihydro-1H-imidazol-2-one
CID 137701259
4,5-Dimethyl-2-oxoimidazolidine-1-carboximidamide
CID 20572682
4-Methyl-2-oxoimidazolidine-1-carboximidamide
CID 23372857
3,5-Dimethylimidazolidin-4-imine
CID 89073031
1-Ethanimidoyl-1-methyl-3-propan-2-ylurea
CID 135219730
4-amino-5-methyl-2,5-dihydro-1H-imidazol-2-one
CID 137701550
4-Imino-5-propan-2-ylimidazolidin-2-one
CID 138388222
4-Ethyl-5-iminoimidazolidin-2-one
CID 138388729
Ethane;4-imino-1-methylimidazolidin-2-one
CID 142360748
N-ethyl-2-iminopyrrolidine-1-carboxamide
CID 143847890
1-Tert-butyl-4-iminoimidazolidin-2-one
CID 146939038
4-Ethyl-5-imino-1-methylimidazolidin-2-one
CID 148999775

Frequently Asked Questions

What is the IUPAC name of 5-imino-1,4-dimethylimidazolidin-2-one?
The IUPAC name of 5-imino-1,4-dimethylimidazolidin-2-one (CID 166799040) is 5-imino-1,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 5-imino-1,4-dimethylimidazolidin-2-one?
The canonical SMILES for 5-imino-1,4-dimethylimidazolidin-2-one is [H]/N=C1/C(C)NC(=O)N1C.
What is the InChIKey of 5-imino-1,4-dimethylimidazolidin-2-one?
The InChIKey is IDGMBPJOLWDPCS-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-4(6)8(2)5(9)7-3/h3,6H,1-2H3,(H,7,9)/b6-4-.
What are the key properties of 5-imino-1,4-dimethylimidazolidin-2-one?
5-imino-1,4-dimethylimidazolidin-2-one has a molecular weight of 127.15 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 166799040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).