4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol

C9H10N2O2 — CID 4583261

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(C2=NCCN2)c(O)c1
InChIInChI=1S/C9H10N2O2/c12-6-1-2-7(8(13)5-6)9-10-3-4-11-9/h1-2,5,12-13H,3-4H2,(H,10,11)
InChIKeyGFNPELRHYAMVCB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.45
Rot. Bonds1

About 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol

4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol (PubChem CID 4583261) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol
PubChem CID4583261
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(C2=NCCN2)c(O)c1
InChIInChI=1S/C9H10N2O2/c12-6-1-2-7(8(13)5-6)9-10-3-4-11-9/h1-2,5,12-13H,3-4H2,(H,10,11)
InChIKeyGFNPELRHYAMVCB-UHFFFAOYSA-N
XLogP0.45
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol (CID 4583261) is 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol is Oc1ccc(C2=NCCN2)c(O)c1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol?
The InChIKey is GFNPELRHYAMVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-6-1-2-7(8(13)5-6)9-10-3-4-11-9/h1-2,5,12-13H,3-4H2,(H,10,11).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol?
4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol has a molecular weight of 178.19 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 4583261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).