2H-imidazol-2-ylurea

C4H6N4O — CID 123395165

IUPAC2H-imidazol-2-ylurea
SMILESNC(=O)NC1N=CC=N1
InChIInChI=1S/C4H6N4O/c5-3(9)8-4-6-1-2-7-4/h1-2,4H,(H3,5,8,9)
InChIKeyWYSPKSCVJJWWBG-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.91
Rot. Bonds1

About 2H-imidazol-2-ylurea

2H-imidazol-2-ylurea (PubChem CID 123395165) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 2H-imidazol-2-ylurea.

Molecular Properties

Compound Name2H-imidazol-2-ylurea
PubChem CID123395165
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name2H-imidazol-2-ylurea
SMILESNC(=O)NC1N=CC=N1
InChIInChI=1S/C4H6N4O/c5-3(9)8-4-6-1-2-7-4/h1-2,4H,(H3,5,8,9)
InChIKeyWYSPKSCVJJWWBG-UHFFFAOYSA-N
XLogP-0.91
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-imidazol-2-ylurea?
The IUPAC name of 2H-imidazol-2-ylurea (CID 123395165) is 2H-imidazol-2-ylurea.
What is the SMILES notation for 2H-imidazol-2-ylurea?
The canonical SMILES for 2H-imidazol-2-ylurea is NC(=O)NC1N=CC=N1.
What is the InChIKey of 2H-imidazol-2-ylurea?
The InChIKey is WYSPKSCVJJWWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-3(9)8-4-6-1-2-7-4/h1-2,4H,(H3,5,8,9).
What are the key properties of 2H-imidazol-2-ylurea?
2H-imidazol-2-ylurea has a molecular weight of 126.12 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-imidazol-2-ylurea is sourced from PubChem (CID 123395165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).