2-[(2,6-dimethylphenyl)methyl]-1H-imidazole

C12H14N2 — CID 15581127

IUPAC2-[(2,6-dimethylphenyl)methyl]-1H-imidazole
SMILESCc1cccc(C)c1Cc1ncc[nH]1
InChIInChI=1S/C12H14N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyJCVUVPHGAUSZDP-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.62
Rot. Bonds2

About 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole

2-[(2,6-dimethylphenyl)methyl]-1H-imidazole (PubChem CID 15581127) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methyl]-1H-imidazole
PubChem CID15581127
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(2,6-dimethylphenyl)methyl]-1H-imidazole
SMILESCc1cccc(C)c1Cc1ncc[nH]1
InChIInChI=1S/C12H14N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyJCVUVPHGAUSZDP-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole (CID 15581127) is 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole is Cc1cccc(C)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole?
The InChIKey is JCVUVPHGAUSZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole?
2-[(2,6-dimethylphenyl)methyl]-1H-imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 15581127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).