1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole

C12H12F2N2O — CID 141394809

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
SMILESCc1nccn1Cc1ccccc1OC(F)F
InChIInChI=1S/C12H12F2N2O/c1-9-15-6-7-16(9)8-10-4-2-3-5-11(10)17-12(13)14/h2-7,12H,8H2,1H3
InChIKeyXOAYNJORVVSJJF-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.84
Rot. Bonds4

About 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole

1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole (PubChem CID 141394809) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
PubChem CID141394809
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
SMILESCc1nccn1Cc1ccccc1OC(F)F
InChIInChI=1S/C12H12F2N2O/c1-9-15-6-7-16(9)8-10-4-2-3-5-11(10)17-12(13)14/h2-7,12H,8H2,1H3
InChIKeyXOAYNJORVVSJJF-UHFFFAOYSA-N
XLogP2.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 62955769
2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one
CID 99844108
1-benzyl-2-methylimidazole
CID 158634472
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 146841548
3-[[2-(difluoromethoxy)phenyl]methyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 18279409
N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 115464316
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111866383
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122574
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
2-methyl-4-[(2-methylimidazol-1-yl)methyl]quinoline
CID 78995513
1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
CID 115784838

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole (CID 141394809) is 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole is Cc1nccn1Cc1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole?
The InChIKey is XOAYNJORVVSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-9-15-6-7-16(9)8-10-4-2-3-5-11(10)17-12(13)14/h2-7,12H,8H2,1H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole?
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole has a molecular weight of 238.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole is sourced from PubChem (CID 141394809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).