ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole

C14H20N2O — CID 144668203

IUPACethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
SMILESCC.COc1ccccc1Cn1ccnc1C
InChIInChI=1S/C12H14N2O.C2H6/c1-10-13-7-8-14(10)9-11-5-3-4-6-12(11)15-2;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyJBEXLKSDTGKEIL-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.27
Rot. Bonds3

About ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole

ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole (PubChem CID 144668203) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole.

Molecular Properties

Compound Nameethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
PubChem CID144668203
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
SMILESCC.COc1ccccc1Cn1ccnc1C
InChIInChI=1S/C12H14N2O.C2H6/c1-10-13-7-8-14(10)9-11-5-3-4-6-12(11)15-2;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyJBEXLKSDTGKEIL-UHFFFAOYSA-N
XLogP3.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
CID 141394809
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 29063574
1-benzyl-2-methylimidazole
CID 158634472
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 146841548
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111217068
3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 170866655
N-[(2-methoxyphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086203
N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 115464316

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole?
The IUPAC name of ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole (CID 144668203) is ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole.
What is the SMILES notation for ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole?
The canonical SMILES for ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole is CC.COc1ccccc1Cn1ccnc1C.
What is the InChIKey of ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole?
The InChIKey is JBEXLKSDTGKEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C2H6/c1-10-13-7-8-14(10)9-11-5-3-4-6-12(11)15-2;1-2/h3-8H,9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole?
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole has a molecular weight of 232.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole is sourced from PubChem (CID 144668203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).