2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole

C20H22N2O — CID 46232084

IUPAC2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole
SMILESCOc1c(-c2nc(C)c(C)[nH]2)cccc1-c1c(C)cccc1C
InChIInChI=1S/C20H22N2O/c1-12-8-6-9-13(2)18(12)16-10-7-11-17(19(16)23-5)20-21-14(3)15(4)22-20/h6-11H,1-5H3,(H,21,22)
InChIKeyWSVSUZYQTPUIAI-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.99
Rot. Bonds3

About 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole

2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole (PubChem CID 46232084) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole
PubChem CID46232084
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole
SMILESCOc1c(-c2nc(C)c(C)[nH]2)cccc1-c1c(C)cccc1C
InChIInChI=1S/C20H22N2O/c1-12-8-6-9-13(2)18(12)16-10-7-11-17(19(16)23-5)20-21-14(3)15(4)22-20/h6-11H,1-5H3,(H,21,22)
InChIKeyWSVSUZYQTPUIAI-UHFFFAOYSA-N
XLogP4.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole?
The IUPAC name of 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole (CID 46232084) is 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole?
The canonical SMILES for 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole is COc1c(-c2nc(C)c(C)[nH]2)cccc1-c1c(C)cccc1C.
What is the InChIKey of 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole?
The InChIKey is WSVSUZYQTPUIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-12-8-6-9-13(2)18(12)16-10-7-11-17(19(16)23-5)20-21-14(3)15(4)22-20/h6-11H,1-5H3,(H,21,22).
What are the key properties of 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole?
2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole has a molecular weight of 306.41 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 46232084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).