4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid

C28H27F3N2O3 — CID 53312454

IUPAC4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1-c1ncn(Cc2cccc(-c3ccccc3)c2)c1C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C26H26N2O.C2HF3O2/c1-19(2)26-25(23-14-7-8-15-24(23)29-3)27-18-28(26)17-20-10-9-13-22(16-20)21-11-5-4-6-12-21;3-2(4,5)1(6)7/h4-16,18-19H,17H2,1-3H3;(H,6,7)
InChIKeyVWTZETRSUXZVTF-UHFFFAOYSA-N
MW496.53 g/mol
LogP7.03
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid

4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid (PubChem CID 53312454) has the molecular formula C28H27F3N2O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid
PubChem CID53312454
Molecular FormulaC28H27F3N2O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC Name4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1-c1ncn(Cc2cccc(-c3ccccc3)c2)c1C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C26H26N2O.C2HF3O2/c1-19(2)26-25(23-14-7-8-15-24(23)29-3)27-18-28(26)17-20-10-9-13-22(16-20)21-11-5-4-6-12-21;3-2(4,5)1(6)7/h4-16,18-19H,17H2,1-3H3;(H,6,7)
InChIKeyVWTZETRSUXZVTF-UHFFFAOYSA-N
XLogP7.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid
CID 53312433
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 53300724
5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 53300726
5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid
CID 56588110
5-cyclopropyl-4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]imidazole
CID 52931623
1-[1-benzyl-4-[3-(2-methoxyphenyl)phenyl]-2-methylpyrrol-3-yl]ethanone
CID 53493547
5-butyl-1-cyclohexyl-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 56588106
4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid
CID 53300715
3-(2-methoxyphenyl)benzoic acid
CID 2759547
5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 51049916
4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole
CID 53312404
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134803410

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid (CID 53312454) is 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid is COc1ccccc1-c1ncn(Cc2cccc(-c3ccccc3)c2)c1C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid?
The InChIKey is VWTZETRSUXZVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O.C2HF3O2/c1-19(2)26-25(23-14-7-8-15-24(23)29-3)27-18-28(26)17-20-10-9-13-22(16-20)21-11-5-4-6-12-21;3-2(4,5)1(6)7/h4-16,18-19H,17H2,1-3H3;(H,6,7).
What are the key properties of 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid?
4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid has a molecular weight of 496.53 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]-5-propan-2-ylimidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53312454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).