2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole

C15H18F2N2O — CID 103606232

IUPAC2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
SMILESCCC(C)c1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C15H18F2N2O/c1-3-11(2)12-4-6-13(7-5-12)20-10-14-18-8-9-19(14)15(16)17/h4-9,11,15H,3,10H2,1-2H3
InChIKeyGEVDWYIUAVPPJN-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.37
Rot. Bonds6

About 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole

2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole (PubChem CID 103606232) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole.

Molecular Properties

Compound Name2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
PubChem CID103606232
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
SMILESCCC(C)c1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C15H18F2N2O/c1-3-11(2)12-4-6-13(7-5-12)20-10-14-18-8-9-19(14)15(16)17/h4-9,11,15H,3,10H2,1-2H3
InChIKeyGEVDWYIUAVPPJN-UHFFFAOYSA-N
XLogP4.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
CID 115495324
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 24562206
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole
CID 75424823
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methanol
CID 43326932

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole?
The IUPAC name of 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole (CID 103606232) is 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole.
What is the SMILES notation for 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole?
The canonical SMILES for 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole is CCC(C)c1ccc(OCc2nccn2C(F)F)cc1.
What is the InChIKey of 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole?
The InChIKey is GEVDWYIUAVPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-3-11(2)12-4-6-13(7-5-12)20-10-14-18-8-9-19(14)15(16)17/h4-9,11,15H,3,10H2,1-2H3.
What are the key properties of 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole?
2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole has a molecular weight of 280.32 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole is sourced from PubChem (CID 103606232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).