1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole

C14H18N2 — CID 115641222

IUPAC1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
SMILESCc1cccc(C)c1Cn1cnc(C)c1C
InChIInChI=1S/C14H18N2/c1-10-6-5-7-11(2)14(10)8-16-9-15-12(3)13(16)4/h5-7,9H,8H2,1-4H3
InChIKeyLAKXZKFSHSAJCB-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.17
Rot. Bonds2

About 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole

1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole (PubChem CID 115641222) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
PubChem CID115641222
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
SMILESCc1cccc(C)c1Cn1cnc(C)c1C
InChIInChI=1S/C14H18N2/c1-10-6-5-7-11(2)14(10)8-16-9-15-12(3)13(16)4/h5-7,9H,8H2,1-4H3
InChIKeyLAKXZKFSHSAJCB-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole (CID 115641222) is 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole is Cc1cccc(C)c1Cn1cnc(C)c1C.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole?
The InChIKey is LAKXZKFSHSAJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-6-5-7-11(2)14(10)8-16-9-15-12(3)13(16)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole?
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 115641222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).