chempirical

2-Imidazolidone hemihydrate

C6H14N4O3CAS 121325-67-5190.20 g/mol

Open in Covalent MOL file
NHONHNHONHH2O
Urea

Properties

Molecular formula
C6H14N4O3
Molar mass
190.20 g/mol
Exact mass
190.1066 Da
logP
-2.23Crippen estimate
Polar surface area
113.8 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
0

Identifiers

CAS number
121325-67-5
SMILES
C1CNC(=O)N1.C1CNC(=O)N1.O
InChIKey
KPRJGGOOWATRNT-UHFFFAOYSA-N
InChI
InChI=1S/2C3H6N2O.H2O/c2*6-3-4-1-2-5-3;/h2*1-2H2,(H2,4,5,6);1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Imidazolidone hemihydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Arpezine142-63-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook