[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone

C25H19F3N2O2 — CID 153216978

IUPAC[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCOc1cc(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H19F3N2O2/c1-16-14-30(15-29-16)22-11-10-20(13-23(22)32-2)24(31)18-8-6-17(7-9-18)19-4-3-5-21(12-19)25(26,27)28/h3-15H,1-2H3
InChIKeyWMXFHKFFXADZEG-UHFFFAOYSA-N
MW436.43 g/mol
LogP6.11
Rot. Bonds5

About [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone

[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 153216978) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID153216978
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCOc1cc(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H19F3N2O2/c1-16-14-30(15-29-16)22-11-10-20(13-23(22)32-2)24(31)18-8-6-17(7-9-18)19-4-3-5-21(12-19)25(26,27)28/h3-15H,1-2H3
InChIKeyWMXFHKFFXADZEG-UHFFFAOYSA-N
XLogP6.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
CID 46899010
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 66791241
1-[1-[3,5-bis(trifluoromethyl)phenyl]propyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one
CID 143815636
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-5-[2-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 66857694
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 72945923
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
CID 72543944
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(1Z)-8-methyl-4-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-triazonin-9-yl]benzamide
CID 123251724
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone (CID 153216978) is [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone is COc1cc(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is WMXFHKFFXADZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-16-14-30(15-29-16)22-11-10-20(13-23(22)32-2)24(31)18-8-6-17(7-9-18)19-4-3-5-21(12-19)25(26,27)28/h3-15H,1-2H3.
What are the key properties of [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 436.43 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 153216978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).