3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole

C25H18F3N3O2 — CID 139927242

IUPAC3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3cccc(OC(F)(F)F)c3)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H18F3N3O2/c1-32-17-11-9-15(10-12-17)22-23(20-14-29-21-8-3-2-7-19(20)21)31-24(30-22)16-5-4-6-18(13-16)33-25(26,27)28/h2-14,29H,1H3,(H,30,31)
InChIKeyGVCKOXLYNQMPCO-UHFFFAOYSA-N
MW449.43 g/mol
LogP6.80
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole

3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole (PubChem CID 139927242) has the molecular formula C25H18F3N3O2 and a molecular weight of 449.43 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole
PubChem CID139927242
Molecular FormulaC25H18F3N3O2
Molecular Weight449.43 g/mol
Exact Mass449.14
IUPAC Name3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3cccc(OC(F)(F)F)c3)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H18F3N3O2/c1-32-17-11-9-15(10-12-17)22-23(20-14-29-21-8-3-2-7-19(20)21)31-24(30-22)16-5-4-6-18(13-16)33-25(26,27)28/h2-14,29H,1H3,(H,30,31)
InChIKeyGVCKOXLYNQMPCO-UHFFFAOYSA-N
XLogP6.80
TPSA62.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.43
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139927237
3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757971
3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 4207500
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 58875260
3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103113
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole?
The IUPAC name of 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole (CID 139927242) is 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole is COc1ccc(-c2nc(-c3cccc(OC(F)(F)F)c3)[nH]c2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole?
The InChIKey is GVCKOXLYNQMPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O2/c1-32-17-11-9-15(10-12-17)22-23(20-14-29-21-8-3-2-7-19(20)21)31-24(30-22)16-5-4-6-18(13-16)33-25(26,27)28/h2-14,29H,1H3,(H,30,31).
What are the key properties of 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole?
3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole has a molecular weight of 449.43 g/mol, XLogP of 6.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole is sourced from PubChem (CID 139927242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).