2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

C12H16N2 — CID 24782016

IUPAC2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1cccc(C)c1CC1=NCCN1
InChIInChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
InChIKeyGPUVYOKQAJEFBO-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.85
Rot. Bonds2

About 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 24782016) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID24782016
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1cccc(C)c1CC1=NCCN1
InChIInChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
InChIKeyGPUVYOKQAJEFBO-UHFFFAOYSA-N
XLogP1.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 24782016) is 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1cccc(C)c1CC1=NCCN1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is GPUVYOKQAJEFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 24782016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).