4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole

C20H19F3N2O4 — CID 154287281

IUPAC4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H19F3N2O4/c1-26-13-7-5-11(9-15(13)28-3)17-18(25-19(24-17)20(21,22)23)12-6-8-14(27-2)16(10-12)29-4/h5-10H,1-4H3,(H,24,25)
InChIKeyWNQWZYPGHNBMLA-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.80
Rot. Bonds6

About 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole

4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 154287281) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID154287281
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC Name4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H19F3N2O4/c1-26-13-7-5-11(9-15(13)28-3)17-18(25-19(24-17)20(21,22)23)12-6-8-14(27-2)16(10-12)29-4/h5-10H,1-4H3,(H,24,25)
InChIKeyWNQWZYPGHNBMLA-UHFFFAOYSA-N
XLogP4.80
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22745813
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463676
4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 154311787
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine
CID 82475498
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol
CID 10470279
1,4-bis(3,4-dimethoxyphenyl)-5-(trifluoromethyl)triazole
CID 139062664
5-(3-chloro-4-methylphenyl)-4-(3-fluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 139972082

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 154287281) is 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole is COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is WNQWZYPGHNBMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c1-26-13-7-5-11(9-15(13)28-3)17-18(25-19(24-17)20(21,22)23)12-6-8-14(27-2)16(10-12)29-4/h5-10H,1-4H3,(H,24,25).
What are the key properties of 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 408.38 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 154287281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).