1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole

C13H16N2O — CID 82078786

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
SMILESCOc1ccc(Cn2ccnc2C)cc1C
InChIInChI=1S/C13H16N2O/c1-10-8-12(4-5-13(10)16-3)9-15-7-6-14-11(15)2/h4-8H,9H2,1-3H3
InChIKeyXNZMFNBTMGUFSO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.56
Rot. Bonds3

About 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole

1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole (PubChem CID 82078786) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
PubChem CID82078786
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
SMILESCOc1ccc(Cn2ccnc2C)cc1C
InChIInChI=1S/C13H16N2O/c1-10-8-12(4-5-13(10)16-3)9-15-7-6-14-11(15)2/h4-8H,9H2,1-3H3
InChIKeyXNZMFNBTMGUFSO-UHFFFAOYSA-N
XLogP2.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
2-methoxy-4-[(2-methylimidazol-1-yl)methyl]benzenecarboximidamide
CID 106791074
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621
4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54964565
3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 170866655
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111200301
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine
CID 60861612
1-benzyl-2-methylimidazole
CID 158634472
2-bromo-5-[(2-methylimidazol-1-yl)methyl]aniline
CID 115557276
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid
CID 82301544

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole (CID 82078786) is 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole is COc1ccc(Cn2ccnc2C)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole?
The InChIKey is XNZMFNBTMGUFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-8-12(4-5-13(10)16-3)9-15-7-6-14-11(15)2/h4-8H,9H2,1-3H3.
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole?
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole has a molecular weight of 216.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole is sourced from PubChem (CID 82078786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).