4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one

C21H15F3N2O4 — CID 51355432

IUPAC4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(OC(F)(F)F)c3)cc2o1
InChIInChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2
InChIKeySAOHYTLBHRCWIT-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.52
Rot. Bonds6

About 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one

4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one (PubChem CID 51355432) has the molecular formula C21H15F3N2O4 and a molecular weight of 416.36 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one
PubChem CID51355432
Molecular FormulaC21H15F3N2O4
Molecular Weight416.36 g/mol
Exact Mass416.10
IUPAC Name4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(OC(F)(F)F)c3)cc2o1
InChIInChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2
InChIKeySAOHYTLBHRCWIT-UHFFFAOYSA-N
XLogP4.52
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one 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

4-(chloromethyl)-7-[[4-(trifluoromethoxy)phenyl]methoxy]chromen-2-one
CID 51356823
7-(4-acetylphenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one
CID 51355974
7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
CID 3074198
2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643790
6-hydroxy-4-(imidazol-1-ylmethyl)-7-methylchromen-2-one
CID 4838551
2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide
CID 11948020
3-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]propanenitrile
CID 118723932
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
4-(hydroxymethyl)-7-[[4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]phenyl]methoxy]chromen-2-one
CID 177377058
4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one
CID 16735942
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one?
The IUPAC name of 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one (CID 51355432) is 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one is O=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(OC(F)(F)F)c3)cc2o1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one?
The InChIKey is SAOHYTLBHRCWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one?
4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one has a molecular weight of 416.36 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-7-[[3-(trifluoromethoxy)phenyl]methoxy]chromen-2-one is sourced from PubChem (CID 51355432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).