1-hydroxy-4,5-dimethyl-2-phenylimidazole

C11H12N2O — CID 5130347

IUPAC1-hydroxy-4,5-dimethyl-2-phenylimidazole
SMILESCc1nc(-c2ccccc2)n(O)c1C
InChIInChI=1S/C11H12N2O/c1-8-9(2)13(14)11(12-8)10-6-4-3-5-7-10/h3-7,14H,1-2H3
InChIKeyXIUXPALHIFLMJF-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.40
Rot. Bonds1

About 1-hydroxy-4,5-dimethyl-2-phenylimidazole

1-hydroxy-4,5-dimethyl-2-phenylimidazole (PubChem CID 5130347) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-hydroxy-4,5-dimethyl-2-phenylimidazole.

Molecular Properties

Compound Name1-hydroxy-4,5-dimethyl-2-phenylimidazole
PubChem CID5130347
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-hydroxy-4,5-dimethyl-2-phenylimidazole
SMILESCc1nc(-c2ccccc2)n(O)c1C
InChIInChI=1S/C11H12N2O/c1-8-9(2)13(14)11(12-8)10-6-4-3-5-7-10/h3-7,14H,1-2H3
InChIKeyXIUXPALHIFLMJF-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,5-dimethyl-2-phenylimidazole?
The IUPAC name of 1-hydroxy-4,5-dimethyl-2-phenylimidazole (CID 5130347) is 1-hydroxy-4,5-dimethyl-2-phenylimidazole.
What is the SMILES notation for 1-hydroxy-4,5-dimethyl-2-phenylimidazole?
The canonical SMILES for 1-hydroxy-4,5-dimethyl-2-phenylimidazole is Cc1nc(-c2ccccc2)n(O)c1C.
What is the InChIKey of 1-hydroxy-4,5-dimethyl-2-phenylimidazole?
The InChIKey is XIUXPALHIFLMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-9(2)13(14)11(12-8)10-6-4-3-5-7-10/h3-7,14H,1-2H3.
What are the key properties of 1-hydroxy-4,5-dimethyl-2-phenylimidazole?
1-hydroxy-4,5-dimethyl-2-phenylimidazole has a molecular weight of 188.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,5-dimethyl-2-phenylimidazole is sourced from PubChem (CID 5130347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).