3-(imidazol-1-ylmethyl)benzene-1,2-diol

C10H10N2O2 — CID 11159799

IUPAC3-(imidazol-1-ylmethyl)benzene-1,2-diol
SMILESOc1cccc(Cn2ccnc2)c1O
InChIInChI=1S/C10H10N2O2/c13-9-3-1-2-8(10(9)14)6-12-5-4-11-7-12/h1-5,7,13-14H,6H2
InChIKeyFQBZLMXHTJDUIV-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.34
Rot. Bonds2

About 3-(imidazol-1-ylmethyl)benzene-1,2-diol

3-(imidazol-1-ylmethyl)benzene-1,2-diol (PubChem CID 11159799) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)benzene-1,2-diol
PubChem CID11159799
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(imidazol-1-ylmethyl)benzene-1,2-diol
SMILESOc1cccc(Cn2ccnc2)c1O
InChIInChI=1S/C10H10N2O2/c13-9-3-1-2-8(10(9)14)6-12-5-4-11-7-12/h1-5,7,13-14H,6H2
InChIKeyFQBZLMXHTJDUIV-UHFFFAOYSA-N
XLogP1.34
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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 3-(imidazol-1-ylmethyl)benzene-1,2-diol?
The IUPAC name of 3-(imidazol-1-ylmethyl)benzene-1,2-diol (CID 11159799) is 3-(imidazol-1-ylmethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)benzene-1,2-diol?
The canonical SMILES for 3-(imidazol-1-ylmethyl)benzene-1,2-diol is Oc1cccc(Cn2ccnc2)c1O.
What is the InChIKey of 3-(imidazol-1-ylmethyl)benzene-1,2-diol?
The InChIKey is FQBZLMXHTJDUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-3-1-2-8(10(9)14)6-12-5-4-11-7-12/h1-5,7,13-14H,6H2.
What are the key properties of 3-(imidazol-1-ylmethyl)benzene-1,2-diol?
3-(imidazol-1-ylmethyl)benzene-1,2-diol has a molecular weight of 190.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)benzene-1,2-diol is sourced from PubChem (CID 11159799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).