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

C14H18N2 — CID 70555688

IUPAC2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole
SMILESCCc1cnc(Cc2c(C)cccc2C)[nH]1
InChIInChI=1S/C14H18N2/c1-4-12-9-15-14(16-12)8-13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeySDNYDOLCBUEYFP-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.18
Rot. Bonds3

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

2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole (PubChem CID 70555688) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole
PubChem CID70555688
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole
SMILESCCc1cnc(Cc2c(C)cccc2C)[nH]1
InChIInChI=1S/C14H18N2/c1-4-12-9-15-14(16-12)8-13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeySDNYDOLCBUEYFP-UHFFFAOYSA-N
XLogP3.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(5-ethyl-1H-imidazol-2-yl)methyl]benzonitrile
CID 173306773
(5-ethyl-1H-imidazol-2-yl)methanamine
CID 82235615
5-ethyl-2-(2-methylpropyl)-1H-imidazole
CID 70669339
[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol
CID 63108311
2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine
CID 82239450
N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177477
N-[(2-benzyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63108604
3-bromo-N-[(5-ethyl-1H-imidazol-2-yl)methyl]aniline
CID 166251706
5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
CID 63108845
[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 63108978
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
CID 169266743
2-[6-[(5-propyl-1H-imidazol-2-yl)methyl]-2-pyridinyl]propan-2-ol
CID 167025140

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole?
The IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole (CID 70555688) is 2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole is CCc1cnc(Cc2c(C)cccc2C)[nH]1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole?
The InChIKey is SDNYDOLCBUEYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-12-9-15-14(16-12)8-13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole?
2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.18, 3 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]-5-ethyl-1H-imidazole is sourced from PubChem (CID 70555688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).