2-(4-methylimidazol-1-yl)phenol

C10H10N2O — CID 12913250

IUPAC2-(4-methylimidazol-1-yl)phenol
SMILESCc1cn(-c2ccccc2O)cn1
InChIInChI=1S/C10H10N2O/c1-8-6-12(7-11-8)9-4-2-3-5-10(9)13/h2-7,13H,1H3
InChIKeyUGKFIZISGYFXBN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.89
Rot. Bonds1

About 2-(4-methylimidazol-1-yl)phenol

2-(4-methylimidazol-1-yl)phenol (PubChem CID 12913250) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(4-methylimidazol-1-yl)phenol.

Molecular Properties

Compound Name2-(4-methylimidazol-1-yl)phenol
PubChem CID12913250
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(4-methylimidazol-1-yl)phenol
SMILESCc1cn(-c2ccccc2O)cn1
InChIInChI=1S/C10H10N2O/c1-8-6-12(7-11-8)9-4-2-3-5-10(9)13/h2-7,13H,1H3
InChIKeyUGKFIZISGYFXBN-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylimidazol-1-yl)phenol?
The IUPAC name of 2-(4-methylimidazol-1-yl)phenol (CID 12913250) is 2-(4-methylimidazol-1-yl)phenol.
What is the SMILES notation for 2-(4-methylimidazol-1-yl)phenol?
The canonical SMILES for 2-(4-methylimidazol-1-yl)phenol is Cc1cn(-c2ccccc2O)cn1.
What is the InChIKey of 2-(4-methylimidazol-1-yl)phenol?
The InChIKey is UGKFIZISGYFXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-6-12(7-11-8)9-4-2-3-5-10(9)13/h2-7,13H,1H3.
What are the key properties of 2-(4-methylimidazol-1-yl)phenol?
2-(4-methylimidazol-1-yl)phenol has a molecular weight of 174.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylimidazol-1-yl)phenol is sourced from PubChem (CID 12913250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).