5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol

C6H6N4O2 — CID 57358885

IUPAC5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol
SMILESOc1nc[nH]c1-c1[nH]cnc1O
InChIInChI=1S/C6H6N4O2/c11-5-3(7-1-9-5)4-6(12)10-2-8-4/h1-2,11-12H,(H,7,9)(H,8,10)
InChIKeyBDMVDRITVVCXFM-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.21
Rot. Bonds1

About 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol

5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol (PubChem CID 57358885) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol
PubChem CID57358885
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol
SMILESOc1nc[nH]c1-c1[nH]cnc1O
InChIInChI=1S/C6H6N4O2/c11-5-3(7-1-9-5)4-6(12)10-2-8-4/h1-2,11-12H,(H,7,9)(H,8,10)
InChIKeyBDMVDRITVVCXFM-UHFFFAOYSA-N
XLogP0.21
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol?
The IUPAC name of 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol (CID 57358885) is 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol.
What is the SMILES notation for 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol?
The canonical SMILES for 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol is Oc1nc[nH]c1-c1[nH]cnc1O.
What is the InChIKey of 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol?
The InChIKey is BDMVDRITVVCXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-5-3(7-1-9-5)4-6(12)10-2-8-4/h1-2,11-12H,(H,7,9)(H,8,10).
What are the key properties of 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol?
5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol has a molecular weight of 166.14 g/mol, XLogP of 0.21, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol is sourced from PubChem (CID 57358885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).