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

C20H19F3N2O2 — CID 154311787

IUPAC4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-3-26-15-9-5-13(6-10-15)17-18(25-19(24-17)20(21,22)23)14-7-11-16(12-8-14)27-4-2/h5-12H,3-4H2,1-2H3,(H,24,25)
InChIKeyVZWHCXRZACVODJ-UHFFFAOYSA-N
MW376.38 g/mol
LogP5.56
Rot. Bonds6

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

4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 154311787) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID154311787
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-3-26-15-9-5-13(6-10-15)17-18(25-19(24-17)20(21,22)23)14-7-11-16(12-8-14)27-4-2/h5-12H,3-4H2,1-2H3,(H,24,25)
InChIKeyVZWHCXRZACVODJ-UHFFFAOYSA-N
XLogP5.56
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol
CID 10470279
5-(4-methylphenyl)-4-(4-methylsulfinylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 162576486
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole
CID 13308962
5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733709
1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol
CID 13127265
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine
CID 17387645
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
3,5-dichloro-6-(4-ethoxyphenyl)pyridin-2-amine
CID 102752955

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 154311787) is 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole is CCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OCC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is VZWHCXRZACVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-3-26-15-9-5-13(6-10-15)17-18(25-19(24-17)20(21,22)23)14-7-11-16(12-8-14)27-4-2/h5-12H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 376.38 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 154311787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).