2-(1H-imidazol-5-yl)benzene-1,4-diol

C9H8N2O2 — CID 58294145

IUPAC2-(1H-imidazol-5-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2cnc[nH]2)c1
InChIInChI=1S/C9H8N2O2/c12-6-1-2-9(13)7(3-6)8-4-10-5-11-8/h1-5,12-13H,(H,10,11)
InChIKeyIMOBQVURAKZZKM-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.49
Rot. Bonds1

About 2-(1H-imidazol-5-yl)benzene-1,4-diol

2-(1H-imidazol-5-yl)benzene-1,4-diol (PubChem CID 58294145) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)benzene-1,4-diol
PubChem CID58294145
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name2-(1H-imidazol-5-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2cnc[nH]2)c1
InChIInChI=1S/C9H8N2O2/c12-6-1-2-9(13)7(3-6)8-4-10-5-11-8/h1-5,12-13H,(H,10,11)
InChIKeyIMOBQVURAKZZKM-UHFFFAOYSA-N
XLogP1.49
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)benzene-1,4-diol?
The IUPAC name of 2-(1H-imidazol-5-yl)benzene-1,4-diol (CID 58294145) is 2-(1H-imidazol-5-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(1H-imidazol-5-yl)benzene-1,4-diol?
The canonical SMILES for 2-(1H-imidazol-5-yl)benzene-1,4-diol is Oc1ccc(O)c(-c2cnc[nH]2)c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)benzene-1,4-diol?
The InChIKey is IMOBQVURAKZZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-6-1-2-9(13)7(3-6)8-4-10-5-11-8/h1-5,12-13H,(H,10,11).
What are the key properties of 2-(1H-imidazol-5-yl)benzene-1,4-diol?
2-(1H-imidazol-5-yl)benzene-1,4-diol has a molecular weight of 176.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)benzene-1,4-diol is sourced from PubChem (CID 58294145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).