3-(1-benzyl-4-methylimidazol-2-yl)phenol

C17H16N2O — CID 83971137

IUPAC3-(1-benzyl-4-methylimidazol-2-yl)phenol
SMILESCc1cn(Cc2ccccc2)c(-c2cccc(O)c2)n1
InChIInChI=1S/C17H16N2O/c1-13-11-19(12-14-6-3-2-4-7-14)17(18-13)15-8-5-9-16(20)10-15/h2-11,20H,12H2,1H3
InChIKeyDKDNCTUXCCQPGH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.61
Rot. Bonds3

About 3-(1-benzyl-4-methylimidazol-2-yl)phenol

3-(1-benzyl-4-methylimidazol-2-yl)phenol (PubChem CID 83971137) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(1-benzyl-4-methylimidazol-2-yl)phenol.

Molecular Properties

Compound Name3-(1-benzyl-4-methylimidazol-2-yl)phenol
PubChem CID83971137
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(1-benzyl-4-methylimidazol-2-yl)phenol
SMILESCc1cn(Cc2ccccc2)c(-c2cccc(O)c2)n1
InChIInChI=1S/C17H16N2O/c1-13-11-19(12-14-6-3-2-4-7-14)17(18-13)15-8-5-9-16(20)10-15/h2-11,20H,12H2,1H3
InChIKeyDKDNCTUXCCQPGH-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzyl-4-methylimidazol-2-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

Related Compounds

3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol
CID 83971139
3-[2-(3-hydroxyphenyl)-4-methylimidazol-1-yl]propanoic acid
CID 83971153
3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
CID 11014921
1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980
3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline
CID 83971170
(1-benzyl-4-methylimidazol-2-yl)methanamine
CID 130214981
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole
CID 163216978
methyl 1-benzyl-4-methylimidazole-2-carboxylate
CID 11470254
3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol
CID 158313902
1-(1-benzyl-4-methylimidazol-2-yl)butane-1,3-dione
CID 175634443
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563226

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-4-methylimidazol-2-yl)phenol?
The IUPAC name of 3-(1-benzyl-4-methylimidazol-2-yl)phenol (CID 83971137) is 3-(1-benzyl-4-methylimidazol-2-yl)phenol.
What is the SMILES notation for 3-(1-benzyl-4-methylimidazol-2-yl)phenol?
The canonical SMILES for 3-(1-benzyl-4-methylimidazol-2-yl)phenol is Cc1cn(Cc2ccccc2)c(-c2cccc(O)c2)n1.
What is the InChIKey of 3-(1-benzyl-4-methylimidazol-2-yl)phenol?
The InChIKey is DKDNCTUXCCQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-11-19(12-14-6-3-2-4-7-14)17(18-13)15-8-5-9-16(20)10-15/h2-11,20H,12H2,1H3.
What are the key properties of 3-(1-benzyl-4-methylimidazol-2-yl)phenol?
3-(1-benzyl-4-methylimidazol-2-yl)phenol has a molecular weight of 264.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-4-methylimidazol-2-yl)phenol is sourced from PubChem (CID 83971137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).