imidazolidin-1-ylurea;molecular nitrogen

C4H10N6O — CID 138543560

IUPACimidazolidin-1-ylurea;molecular nitrogen
SMILESN#N.NC(=O)NN1CCNC1
InChIInChI=1S/C4H10N4O.N2/c5-4(9)7-8-2-1-6-3-8;1-2/h6H,1-3H2,(H3,5,7,9);
InChIKeyWILSWGJDWMGVFZ-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.54
Rot. Bonds1

About imidazolidin-1-ylurea;molecular nitrogen

imidazolidin-1-ylurea;molecular nitrogen (PubChem CID 138543560) has the molecular formula C4H10N6O and a molecular weight of 158.16 g/mol. Its IUPAC name is imidazolidin-1-ylurea;molecular nitrogen.

Molecular Properties

Compound Nameimidazolidin-1-ylurea;molecular nitrogen
PubChem CID138543560
Molecular FormulaC4H10N6O
Molecular Weight158.16 g/mol
Exact Mass158.09
IUPAC Nameimidazolidin-1-ylurea;molecular nitrogen
SMILESN#N.NC(=O)NN1CCNC1
InChIInChI=1S/C4H10N4O.N2/c5-4(9)7-8-2-1-6-3-8;1-2/h6H,1-3H2,(H3,5,7,9);
InChIKeyWILSWGJDWMGVFZ-UHFFFAOYSA-N
XLogP-1.54
TPSA117.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazolidin-1-ylurea;molecular nitrogen?
The IUPAC name of imidazolidin-1-ylurea;molecular nitrogen (CID 138543560) is imidazolidin-1-ylurea;molecular nitrogen.
What is the SMILES notation for imidazolidin-1-ylurea;molecular nitrogen?
The canonical SMILES for imidazolidin-1-ylurea;molecular nitrogen is N#N.NC(=O)NN1CCNC1.
What is the InChIKey of imidazolidin-1-ylurea;molecular nitrogen?
The InChIKey is WILSWGJDWMGVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O.N2/c5-4(9)7-8-2-1-6-3-8;1-2/h6H,1-3H2,(H3,5,7,9);.
What are the key properties of imidazolidin-1-ylurea;molecular nitrogen?
imidazolidin-1-ylurea;molecular nitrogen has a molecular weight of 158.16 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidin-1-ylurea;molecular nitrogen is sourced from PubChem (CID 138543560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).