4-(1H-imidazol-5-yl)benzene-1,3-diol

C9H8N2O2 — CID 45120866

IUPAC4-(1H-imidazol-5-yl)benzene-1,3-diol
SMILESOc1ccc(-c2cnc[nH]2)c(O)c1
InChIInChI=1S/C9H8N2O2/c12-6-1-2-7(9(13)3-6)8-4-10-5-11-8/h1-5,12-13H,(H,10,11)
InChIKeyGQEUKEZMLOLHNS-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.49
Rot. Bonds1

About 4-(1H-imidazol-5-yl)benzene-1,3-diol

4-(1H-imidazol-5-yl)benzene-1,3-diol (PubChem CID 45120866) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)benzene-1,3-diol
PubChem CID45120866
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-(1H-imidazol-5-yl)benzene-1,3-diol
SMILESOc1ccc(-c2cnc[nH]2)c(O)c1
InChIInChI=1S/C9H8N2O2/c12-6-1-2-7(9(13)3-6)8-4-10-5-11-8/h1-5,12-13H,(H,10,11)
InChIKeyGQEUKEZMLOLHNS-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 ≤ 500176.17
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)benzene-1,3-diol?
The IUPAC name of 4-(1H-imidazol-5-yl)benzene-1,3-diol (CID 45120866) is 4-(1H-imidazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(1H-imidazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 4-(1H-imidazol-5-yl)benzene-1,3-diol is Oc1ccc(-c2cnc[nH]2)c(O)c1.
What is the InChIKey of 4-(1H-imidazol-5-yl)benzene-1,3-diol?
The InChIKey is GQEUKEZMLOLHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-6-1-2-7(9(13)3-6)8-4-10-5-11-8/h1-5,12-13H,(H,10,11).
What are the key properties of 4-(1H-imidazol-5-yl)benzene-1,3-diol?
4-(1H-imidazol-5-yl)benzene-1,3-diol has a molecular weight of 176.17 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 4-(1H-imidazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 45120866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).