4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol

C10H12N2O3 — CID 10352997

IUPAC4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol
SMILESOc1ccc([C@H](O)C2=NCCN2)cc1O
InChIInChI=1S/C10H12N2O3/c13-7-2-1-6(5-8(7)14)9(15)10-11-3-4-12-10/h1-2,5,9,13-15H,3-4H2,(H,11,12)/t9-/m0/s1
InChIKeyQXTDBFMUJTXKNQ-VIFPVBQESA-N
MW208.22 g/mol
LogP0.13
Rot. Bonds2

About 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol

4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol (PubChem CID 10352997) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol
PubChem CID10352997
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol
SMILESOc1ccc([C@H](O)C2=NCCN2)cc1O
InChIInChI=1S/C10H12N2O3/c13-7-2-1-6(5-8(7)14)9(15)10-11-3-4-12-10/h1-2,5,9,13-15H,3-4H2,(H,11,12)/t9-/m0/s1
InChIKeyQXTDBFMUJTXKNQ-VIFPVBQESA-N
XLogP0.13
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol (CID 10352997) is 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol is Oc1ccc([C@H](O)C2=NCCN2)cc1O.
What is the InChIKey of 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol?
The InChIKey is QXTDBFMUJTXKNQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O3/c13-7-2-1-6(5-8(7)14)9(15)10-11-3-4-12-10/h1-2,5,9,13-15H,3-4H2,(H,11,12)/t9-/m0/s1.
What are the key properties of 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol?
4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol has a molecular weight of 208.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-4,5-dihydro-1H-imidazol-2-yl(hydroxy)methyl]benzene-1,2-diol is sourced from PubChem (CID 10352997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).