2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole

C18H18N2 — CID 46232012

IUPAC2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole
SMILESCc1cccc(C)c1-c1cccc(-c2nccn2C)c1
InChIInChI=1S/C18H18N2/c1-13-6-4-7-14(2)17(13)15-8-5-9-16(12-15)18-19-10-11-20(18)3/h4-12H,1-3H3
InChIKeyJSXKDHFQTRNVAA-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.37
Rot. Bonds2

About 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole

2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole (PubChem CID 46232012) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole
PubChem CID46232012
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole
SMILESCc1cccc(C)c1-c1cccc(-c2nccn2C)c1
InChIInChI=1S/C18H18N2/c1-13-6-4-7-14(2)17(13)15-8-5-9-16(12-15)18-19-10-11-20(18)3/h4-12H,1-3H3
InChIKeyJSXKDHFQTRNVAA-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole?
The IUPAC name of 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole (CID 46232012) is 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole.
What is the SMILES notation for 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole?
The canonical SMILES for 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole is Cc1cccc(C)c1-c1cccc(-c2nccn2C)c1.
What is the InChIKey of 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole?
The InChIKey is JSXKDHFQTRNVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-6-4-7-14(2)17(13)15-8-5-9-16(12-15)18-19-10-11-20(18)3/h4-12H,1-3H3.
What are the key properties of 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole?
2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole has a molecular weight of 262.36 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylphenyl)phenyl]-1-methylimidazole is sourced from PubChem (CID 46232012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).