4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid

C24H26BrF3N2O3 — CID 53300715

IUPAC4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid
SMILESCCCCc1c(-c2ccccc2Br)ncn1CCc1ccccc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25BrN2O.C2HF3O2/c1-3-4-12-20-22(18-10-6-7-11-19(18)23)24-16-25(20)15-14-17-9-5-8-13-21(17)26-2;3-2(4,5)1(6)7/h5-11,13,16H,3-4,12,14-15H2,1-2H3;(H,6,7)
InChIKeyARYOGTABAOWAJM-UHFFFAOYSA-N
MW527.38 g/mol
LogP6.54
Rot. Bonds8

About 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid

4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid (PubChem CID 53300715) has the molecular formula C24H26BrF3N2O3 and a molecular weight of 527.38 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid
PubChem CID53300715
Molecular FormulaC24H26BrF3N2O3
Molecular Weight527.38 g/mol
Exact Mass526.11
IUPAC Name4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid
SMILESCCCCc1c(-c2ccccc2Br)ncn1CCc1ccccc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25BrN2O.C2HF3O2/c1-3-4-12-20-22(18-10-6-7-11-19(18)23)24-16-25(20)15-14-17-9-5-8-13-21(17)26-2;3-2(4,5)1(6)7/h5-11,13,16H,3-4,12,14-15H2,1-2H3;(H,6,7)
InChIKeyARYOGTABAOWAJM-UHFFFAOYSA-N
XLogP6.54
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.38
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid
CID 56588110
5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 53300726
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 53300724
5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole
CID 50985943
5-butyl-1-cyclohexyl-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 56588106
5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 51049901
4-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-propylimidazole
CID 51049834
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 50985924
5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 51049916
4-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-(2-methylpropyl)imidazole
CID 51049955
3-[4-bromo-5-(2-methoxyphenyl)-2-methylpyrazol-3-yl]propanoic acid
CID 84611906
4-bromo-1-[2-(2-methoxyphenyl)ethyl]pyrrole-2-carboxylic acid
CID 106262468

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid (CID 53300715) is 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid is CCCCc1c(-c2ccccc2Br)ncn1CCc1ccccc1OC.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid?
The InChIKey is ARYOGTABAOWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O.C2HF3O2/c1-3-4-12-20-22(18-10-6-7-11-19(18)23)24-16-25(20)15-14-17-9-5-8-13-21(17)26-2;3-2(4,5)1(6)7/h5-11,13,16H,3-4,12,14-15H2,1-2H3;(H,6,7).
What are the key properties of 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid?
4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid has a molecular weight of 527.38 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53300715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).