3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde

C15H14F4N2O2 — CID 170707674

IUPAC3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde
SMILESCOc1c(C=O)ccc(-c2nc(C(F)(F)F)cn2C(C)C)c1F
InChIInChI=1S/C15H14F4N2O2/c1-8(2)21-6-11(15(17,18)19)20-14(21)10-5-4-9(7-22)13(23-3)12(10)16/h4-8H,1-3H3
InChIKeyAIUYMVRUHASVFT-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.11
Rot. Bonds4

About 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde

3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde (PubChem CID 170707674) has the molecular formula C15H14F4N2O2 and a molecular weight of 330.28 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde
PubChem CID170707674
Molecular FormulaC15H14F4N2O2
Molecular Weight330.28 g/mol
Exact Mass330.10
IUPAC Name3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde
SMILESCOc1c(C=O)ccc(-c2nc(C(F)(F)F)cn2C(C)C)c1F
InChIInChI=1S/C15H14F4N2O2/c1-8(2)21-6-11(15(17,18)19)20-14(21)10-5-4-9(7-22)13(23-3)12(10)16/h4-8H,1-3H3
InChIKeyAIUYMVRUHASVFT-UHFFFAOYSA-N
XLogP4.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.11
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

7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one
CID 10585323
3-methoxy-N,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
CID 53576177
4-[[Butyl-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]amino]methyl]-2-methoxybenzamide
CID 18438058
4-[[Butyl-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]amino]methyl]-2-methoxybenzoic acid
CID 18438059
Methyl 4-[[butyl-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]amino]methyl]-2-methoxybenzoate
CID 18438242
1-[4-Cyano-3-(trifluoromethoxy)benzyl]imidazole-5-carboxaldehyde
CID 22464389
2-Fluoro-4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]benzaldehyde
CID 57824466
4-[1-[4-(2,2,2-Trifluoroethoxy)phenyl]imidazol-4-yl]benzaldehyde
CID 57824475
4-[1-(4-trifluoromethoxyphenyl)-1H-imidazol-4-yl]-benzaldehyde
CID 57824522
[3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone
CID 59840754
2-Fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde
CID 90434183
ethyl (3R)-6-[4-fluoro-2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]-3-methylhexanoate
CID 129027012

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde?
The IUPAC name of 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde (CID 170707674) is 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde?
The canonical SMILES for 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde is COc1c(C=O)ccc(-c2nc(C(F)(F)F)cn2C(C)C)c1F.
What is the InChIKey of 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde?
The InChIKey is AIUYMVRUHASVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O2/c1-8(2)21-6-11(15(17,18)19)20-14(21)10-5-4-9(7-22)13(23-3)12(10)16/h4-8H,1-3H3.
What are the key properties of 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde?
3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde has a molecular weight of 330.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde is sourced from PubChem (CID 170707674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).