1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole

C16H16N2S — CID 115917901

IUPAC1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
SMILESCc1cccc(C)c1Cn1ccnc1-c1cccs1
InChIInChI=1S/C16H16N2S/c1-12-5-3-6-13(2)14(12)11-18-9-8-17-16(18)15-7-4-10-19-15/h3-10H,11H2,1-2H3
InChIKeyZOOXGFQBVYAYAO-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.28
Rot. Bonds3

About 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole

1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole (PubChem CID 115917901) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
PubChem CID115917901
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
SMILESCc1cccc(C)c1Cn1ccnc1-c1cccs1
InChIInChI=1S/C16H16N2S/c1-12-5-3-6-13(2)14(12)11-18-9-8-17-16(18)15-7-4-10-19-15/h3-10H,11H2,1-2H3
InChIKeyZOOXGFQBVYAYAO-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole (CID 115917901) is 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole is Cc1cccc(C)c1Cn1ccnc1-c1cccs1.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole?
The InChIKey is ZOOXGFQBVYAYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-12-5-3-6-13(2)14(12)11-18-9-8-17-16(18)15-7-4-10-19-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole?
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole has a molecular weight of 268.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 115917901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).