(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea

C4H7N5O2 — CID 18339327

IUPAC(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea
SMILESNC(=O)NC1N=C(N)NC1=O
InChIInChI=1S/C4H7N5O2/c5-3-7-1(2(10)9-3)8-4(6)11/h1H,(H3,6,8,11)(H3,5,7,9,10)
InChIKeyLCKOBSQXOKBQGQ-UHFFFAOYSA-N
MW157.13 g/mol
LogP-2.57
Rot. Bonds1

About (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea

(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea (PubChem CID 18339327) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea.

Molecular Properties

Compound Name(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea
PubChem CID18339327
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea
SMILESNC(=O)NC1N=C(N)NC1=O
InChIInChI=1S/C4H7N5O2/c5-3-7-1(2(10)9-3)8-4(6)11/h1H,(H3,6,8,11)(H3,5,7,9,10)
InChIKeyLCKOBSQXOKBQGQ-UHFFFAOYSA-N
XLogP-2.57
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea?
The IUPAC name of (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea (CID 18339327) is (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea.
What is the SMILES notation for (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea?
The canonical SMILES for (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea is NC(=O)NC1N=C(N)NC1=O.
What is the InChIKey of (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea?
The InChIKey is LCKOBSQXOKBQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c5-3-7-1(2(10)9-3)8-4(6)11/h1H,(H3,6,8,11)(H3,5,7,9,10).
What are the key properties of (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea?
(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea has a molecular weight of 157.13 g/mol, XLogP of -2.57, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-oxo-1,4-dihydroimidazol-4-yl)urea is sourced from PubChem (CID 18339327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).