1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea

C6H10N4O2 — CID 45120901

IUPAC1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESNC(=O)N(O)CCc1cnc[nH]1
InChIInChI=1S/C6H10N4O2/c7-6(11)10(12)2-1-5-3-8-4-9-5/h3-4,12H,1-2H2,(H2,7,11)(H,8,9)
InChIKeyPMZLVZYSCOKACO-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.28
Rot. Bonds3

About 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea

1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea (PubChem CID 45120901) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
PubChem CID45120901
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESNC(=O)N(O)CCc1cnc[nH]1
InChIInChI=1S/C6H10N4O2/c7-6(11)10(12)2-1-5-3-8-4-9-5/h3-4,12H,1-2H2,(H2,7,11)(H,8,9)
InChIKeyPMZLVZYSCOKACO-UHFFFAOYSA-N
XLogP-0.28
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide
CID 118011725
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
ethyl 4-(1H-imidazol-5-yl)-2-oxobutanoate
CID 70557338
2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide
CID 175573455
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one
CID 91011119
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea (CID 45120901) is 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea is NC(=O)N(O)CCc1cnc[nH]1.
What is the InChIKey of 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea?
The InChIKey is PMZLVZYSCOKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-6(11)10(12)2-1-5-3-8-4-9-5/h3-4,12H,1-2H2,(H2,7,11)(H,8,9).
What are the key properties of 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea?
1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea has a molecular weight of 170.17 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea is sourced from PubChem (CID 45120901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).