benzene-1,2-diol;1H-imidazole

C9H10N2O2 — CID 67214302

IUPACbenzene-1,2-diol;1H-imidazole
SMILESOc1ccccc1O.c1c[nH]cn1
InChIInChI=1S/C6H6O2.C3H4N2/c7-5-3-1-2-4-6(5)8;1-2-5-3-4-1/h1-4,7-8H;1-3H,(H,4,5)
InChIKeyCSRHLRALUDQDAR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.51
Rot. Bonds

About benzene-1,2-diol;1H-imidazole

benzene-1,2-diol;1H-imidazole (PubChem CID 67214302) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is benzene-1,2-diol;1H-imidazole.

Molecular Properties

Compound Namebenzene-1,2-diol;1H-imidazole
PubChem CID67214302
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namebenzene-1,2-diol;1H-imidazole
SMILESOc1ccccc1O.c1c[nH]cn1
InChIInChI=1S/C6H6O2.C3H4N2/c7-5-3-1-2-4-6(5)8;1-2-5-3-4-1/h1-4,7-8H;1-3H,(H,4,5)
InChIKeyCSRHLRALUDQDAR-UHFFFAOYSA-N
XLogP1.51
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;1H-imidazole?
The IUPAC name of benzene-1,2-diol;1H-imidazole (CID 67214302) is benzene-1,2-diol;1H-imidazole.
What is the SMILES notation for benzene-1,2-diol;1H-imidazole?
The canonical SMILES for benzene-1,2-diol;1H-imidazole is Oc1ccccc1O.c1c[nH]cn1.
What is the InChIKey of benzene-1,2-diol;1H-imidazole?
The InChIKey is CSRHLRALUDQDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C3H4N2/c7-5-3-1-2-4-6(5)8;1-2-5-3-4-1/h1-4,7-8H;1-3H,(H,4,5).
What are the key properties of benzene-1,2-diol;1H-imidazole?
benzene-1,2-diol;1H-imidazole has a molecular weight of 178.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;1H-imidazole is sourced from PubChem (CID 67214302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).