1-[(2,4,6-trimethylphenyl)methyl]imidazole

C13H16N2 — CID 583968

IUPAC1-[(2,4,6-trimethylphenyl)methyl]imidazole
SMILESCc1cc(C)c(Cn2ccnc2)c(C)c1
InChIInChI=1S/C13H16N2/c1-10-6-11(2)13(12(3)7-10)8-15-5-4-14-9-15/h4-7,9H,8H2,1-3H3
InChIKeyUWBLHMYGSPCMLF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.86
Rot. Bonds2

About 1-[(2,4,6-trimethylphenyl)methyl]imidazole

1-[(2,4,6-trimethylphenyl)methyl]imidazole (PubChem CID 583968) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2,4,6-trimethylphenyl)methyl]imidazole
PubChem CID583968
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-[(2,4,6-trimethylphenyl)methyl]imidazole
SMILESCc1cc(C)c(Cn2ccnc2)c(C)c1
InChIInChI=1S/C13H16N2/c1-10-6-11(2)13(12(3)7-10)8-15-5-4-14-9-15/h4-7,9H,8H2,1-3H3
InChIKeyUWBLHMYGSPCMLF-UHFFFAOYSA-N
XLogP2.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]imidazole?
The IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]imidazole (CID 583968) is 1-[(2,4,6-trimethylphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(2,4,6-trimethylphenyl)methyl]imidazole?
The canonical SMILES for 1-[(2,4,6-trimethylphenyl)methyl]imidazole is Cc1cc(C)c(Cn2ccnc2)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylphenyl)methyl]imidazole?
The InChIKey is UWBLHMYGSPCMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-6-11(2)13(12(3)7-10)8-15-5-4-14-9-15/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethylphenyl)methyl]imidazole?
1-[(2,4,6-trimethylphenyl)methyl]imidazole has a molecular weight of 200.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylphenyl)methyl]imidazole is sourced from PubChem (CID 583968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).