1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole

C12H11F3N2O — CID 81421392

IUPAC1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
SMILESCc1cc(OCc2nccn2C(F)F)ccc1F
InChIInChI=1S/C12H11F3N2O/c1-8-6-9(2-3-10(8)13)18-7-11-16-4-5-17(11)12(14)15/h2-6,12H,7H2,1H3
InChIKeyWPJZPUJJIBDSNB-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.30
Rot. Bonds4

About 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole

1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole (PubChem CID 81421392) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
PubChem CID81421392
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
SMILESCc1cc(OCc2nccn2C(F)F)ccc1F
InChIInChI=1S/C12H11F3N2O/c1-8-6-9(2-3-10(8)13)18-7-11-16-4-5-17(11)12(14)15/h2-6,12H,7H2,1H3
InChIKeyWPJZPUJJIBDSNB-UHFFFAOYSA-N
XLogP3.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
CID 103606232
[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methanol
CID 43326932
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
CID 115495324
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741
5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683199
(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 63364536

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole?
The IUPAC name of 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole (CID 81421392) is 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole is Cc1cc(OCc2nccn2C(F)F)ccc1F.
What is the InChIKey of 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole?
The InChIKey is WPJZPUJJIBDSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-6-9(2-3-10(8)13)18-7-11-16-4-5-17(11)12(14)15/h2-6,12H,7H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole?
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole has a molecular weight of 256.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole is sourced from PubChem (CID 81421392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).