4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde

C12H10F2N2O2 — CID 43112135

IUPAC4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C12H10F2N2O2/c13-12(14)16-6-5-15-11(16)8-18-10-3-1-9(7-17)2-4-10/h1-7,12H,8H2
InChIKeyOVXRLXLFXAYHIT-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.67
Rot. Bonds5

About 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde

4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde (PubChem CID 43112135) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
PubChem CID43112135
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C12H10F2N2O2/c13-12(14)16-6-5-15-11(16)8-18-10-3-1-9(7-17)2-4-10/h1-7,12H,8H2
InChIKeyOVXRLXLFXAYHIT-UHFFFAOYSA-N
XLogP2.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
CID 115495324
3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-4-nitrobenzaldehyde
CID 62115360
2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
CID 103606232
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
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole
CID 75424823
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methanol
CID 43326932
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]benzaldehyde
CID 66353881
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde?
The IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde (CID 43112135) is 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde is O=Cc1ccc(OCc2nccn2C(F)F)cc1.
What is the InChIKey of 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde?
The InChIKey is OVXRLXLFXAYHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c13-12(14)16-6-5-15-11(16)8-18-10-3-1-9(7-17)2-4-10/h1-7,12H,8H2.
What are the key properties of 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde?
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde has a molecular weight of 252.22 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 43112135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).