1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one

C6H11N3O — CID 145372236

IUPAC1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
SMILESC/N=C(\C)N1CCNC1=O
InChIInChI=1S/C6H11N3O/c1-5(7-2)9-4-3-8-6(9)10/h3-4H2,1-2H3,(H,8,10)/b7-5+
InChIKeyKIXDZPGFPFGWBM-FNORWQNLSA-N
MW141.17 g/mol
LogP0.06
Rot. Bonds

About 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one

1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one (PubChem CID 145372236) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
PubChem CID145372236
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
SMILESC/N=C(\C)N1CCNC1=O
InChIInChI=1S/C6H11N3O/c1-5(7-2)9-4-3-8-6(9)10/h3-4H2,1-2H3,(H,8,10)/b7-5+
InChIKeyKIXDZPGFPFGWBM-FNORWQNLSA-N
XLogP0.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(C,N-dimethylcarbonimidoyl)imidazolidin-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

2-oxoimidazolidine-1-carbothioamide
CID 3037080
methyl 2-oxoimidazolidine-1-carboxylate
CID 11788357
1-butanoylimidazolidin-2-one
CID 12771230
1-methylimidazolidin-2-one;propan-2-one
CID 175161965
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate
CID 77061012
ethyl 3-ethyl-2-(2-oxoimidazolidin-1-yl)pent-2-enoate
CID 68659285
1-(2-chlorobutanoyl)imidazolidin-2-one
CID 16786747
(3S)-3-amino-1-(C,N-dimethylcarbonimidoyl)azepan-2-one
CID 59950932
1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one
CID 66218972
1-(morpholine-4-carbonyl)imidazolidin-2-one
CID 12511421
1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one
CID 156829186
N-iodo-N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide
CID 19905885

Frequently Asked Questions

What is the IUPAC name of 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one?
The IUPAC name of 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one (CID 145372236) is 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one.
What is the SMILES notation for 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one?
The canonical SMILES for 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one is C/N=C(\C)N1CCNC1=O.
What is the InChIKey of 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one?
The InChIKey is KIXDZPGFPFGWBM-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(7-2)9-4-3-8-6(9)10/h3-4H2,1-2H3,(H,8,10)/b7-5+.
What are the key properties of 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one?
1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one is sourced from PubChem (CID 145372236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).