3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol

C17H15ClN2O — CID 83971139

IUPAC3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol
SMILESCc1cn(Cc2ccc(Cl)cc2)c(-c2cccc(O)c2)n1
InChIInChI=1S/C17H15ClN2O/c1-12-10-20(11-13-5-7-15(18)8-6-13)17(19-12)14-3-2-4-16(21)9-14/h2-10,21H,11H2,1H3
InChIKeyZWVQFMDERCBBDM-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.27
Rot. Bonds3

About 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol

3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol (PubChem CID 83971139) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol
PubChem CID83971139
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol
SMILESCc1cn(Cc2ccc(Cl)cc2)c(-c2cccc(O)c2)n1
InChIInChI=1S/C17H15ClN2O/c1-12-10-20(11-13-5-7-15(18)8-6-13)17(19-12)14-3-2-4-16(21)9-14/h2-10,21H,11H2,1H3
InChIKeyZWVQFMDERCBBDM-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzyl-4-methylimidazol-2-yl)phenol
CID 83971137
3-[2-(3-hydroxyphenyl)-4-methylimidazol-1-yl]propanoic acid
CID 83971153
3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine
CID 118416853
1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole
CID 163216978
3-(4-chlorophenyl)phenol
CID 3015395
3-[4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]aniline
CID 83971170
2-(3-hydroxyphenyl)-7-[(4-methylphenyl)methyl]-1H-purin-6-one
CID 135708848
3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
CID 11014921
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
CID 63613324
3-(3-chlorophenyl)phenol;ethane
CID 142088616
3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
CID 122179796
4-[2-(3-aminophenyl)-4-methylimidazol-1-yl]butan-2-one
CID 83971191

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol (CID 83971139) is 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol is Cc1cn(Cc2ccc(Cl)cc2)c(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol?
The InChIKey is ZWVQFMDERCBBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-10-20(11-13-5-7-15(18)8-6-13)17(19-12)14-3-2-4-16(21)9-14/h2-10,21H,11H2,1H3.
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol?
3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol has a molecular weight of 298.77 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]-4-methylimidazol-2-yl]phenol is sourced from PubChem (CID 83971139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).