2-(3-benzylimidazol-4-yl)phenol

C16H14N2O — CID 2806275

IUPAC2-(3-benzylimidazol-4-yl)phenol
SMILESOc1ccccc1-c1cncn1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c19-16-9-5-4-8-14(16)15-10-17-12-18(15)11-13-6-2-1-3-7-13/h1-10,12,19H,11H2
InChIKeyKAHHNHULAKKAHA-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.30
Rot. Bonds3

About 2-(3-benzylimidazol-4-yl)phenol

2-(3-benzylimidazol-4-yl)phenol (PubChem CID 2806275) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-benzylimidazol-4-yl)phenol.

Molecular Properties

Compound Name2-(3-benzylimidazol-4-yl)phenol
PubChem CID2806275
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-(3-benzylimidazol-4-yl)phenol
SMILESOc1ccccc1-c1cncn1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c19-16-9-5-4-8-14(16)15-10-17-12-18(15)11-13-6-2-1-3-7-13/h1-10,12,19H,11H2
InChIKeyKAHHNHULAKKAHA-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-benzylimidazol-4-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylimidazol-4-yl)phenol?
The IUPAC name of 2-(3-benzylimidazol-4-yl)phenol (CID 2806275) is 2-(3-benzylimidazol-4-yl)phenol.
What is the SMILES notation for 2-(3-benzylimidazol-4-yl)phenol?
The canonical SMILES for 2-(3-benzylimidazol-4-yl)phenol is Oc1ccccc1-c1cncn1Cc1ccccc1.
What is the InChIKey of 2-(3-benzylimidazol-4-yl)phenol?
The InChIKey is KAHHNHULAKKAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-9-5-4-8-14(16)15-10-17-12-18(15)11-13-6-2-1-3-7-13/h1-10,12,19H,11H2.
What are the key properties of 2-(3-benzylimidazol-4-yl)phenol?
2-(3-benzylimidazol-4-yl)phenol has a molecular weight of 250.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylimidazol-4-yl)phenol is sourced from PubChem (CID 2806275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).