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

C27H25F3N2O3 — CID 53312445

IUPAC5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid
SMILESCCc1c(-c2ccccc2OC)ncn1Cc1cccc(-c2ccccc2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H24N2O.C2HF3O2/c1-3-23-25(22-14-7-8-15-24(22)28-2)26-18-27(23)17-19-10-9-13-21(16-19)20-11-5-4-6-12-20;3-2(4,5)1(6)7/h4-16,18H,3,17H2,1-2H3;(H,6,7)
InChIKeyPABMMHLXULIBCF-UHFFFAOYSA-N
MW482.50 g/mol
LogP6.47
Rot. Bonds6

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

5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid (PubChem CID 53312445) has the molecular formula C27H25F3N2O3 and a molecular weight of 482.50 g/mol. Its IUPAC name is 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid
PubChem CID53312445
Molecular FormulaC27H25F3N2O3
Molecular Weight482.50 g/mol
Exact Mass482.18
IUPAC Name5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid
SMILESCCc1c(-c2ccccc2OC)ncn1Cc1cccc(-c2ccccc2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H24N2O.C2HF3O2/c1-3-23-25(22-14-7-8-15-24(22)28-2)26-18-27(23)17-19-10-9-13-21(16-19)20-11-5-4-6-12-20;3-2(4,5)1(6)7/h4-16,18H,3,17H2,1-2H3;(H,6,7)
InChIKeyPABMMHLXULIBCF-UHFFFAOYSA-N
XLogP6.47
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hex-4-enoic acid
CID 126752344
Bocidelpar
CID 126752383
ethyl 4-[4-(4,5-diphenyl-1H-imidazol-1-yl)phenoxy]butanoate
CID 10477559
(3R)-6-[2-[[2-(4-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752322
(3R)-3-methyl-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 132009332
3-Methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 126752365
3-Methyl-6-[4-methyl-2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 126752418
6-[2-[[5-Methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 129026944
1-[4-(2,4-dimethylphenoxy)butyl]-1H-benzimidazole oxalate
CID 2949443
[5-(4-Fluoro-phenyl)-1-methyl-1H-imidazol-2-yl]-(2-methoxy-benzyl)-amine
CID 23724421
(2,5-Dimethoxy-benzyl)-[5-(4-fluoro-phenyl)-1-methyl-1H-imidazol-2-yl]-amine
CID 23724429
CID 24892525
CID 24892525

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid (CID 53312445) is 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid is CCc1c(-c2ccccc2OC)ncn1Cc1cccc(-c2ccccc2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid?
The InChIKey is PABMMHLXULIBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O.C2HF3O2/c1-3-23-25(22-14-7-8-15-24(22)28-2)26-18-27(23)17-19-10-9-13-21(16-19)20-11-5-4-6-12-20;3-2(4,5)1(6)7/h4-16,18H,3,17H2,1-2H3;(H,6,7).
What are the key properties of 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid?
5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid has a molecular weight of 482.50 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-methoxyphenyl)-1-[(3-phenylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53312445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).