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

C36H30F6N4O4 — CID 90189417

IUPAC4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/2C18H15F3N2O2/c2*1-24-13-7-3-11(4-8-13)15-16(23-17(22-15)18(19,20)21)12-5-9-14(25-2)10-6-12/h2*3-10H,1-2H3,(H,22,23)
InChIKeyURSPUSHWQLNNFY-UHFFFAOYSA-N
MW696.65 g/mol
LogP9.56
Rot. Bonds8

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

4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 90189417) has the molecular formula C36H30F6N4O4 and a molecular weight of 696.65 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID90189417
Molecular FormulaC36H30F6N4O4
Molecular Weight696.65 g/mol
Exact Mass696.22
IUPAC Name4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/2C18H15F3N2O2/c2*1-24-13-7-3-11(4-8-13)15-16(23-17(22-15)18(19,20)21)12-5-9-14(25-2)10-6-12/h2*3-10H,1-2H3,(H,22,23)
InChIKeyURSPUSHWQLNNFY-UHFFFAOYSA-N
XLogP9.56
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.65
LogP ≤ 59.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 154311787
4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 154287281
1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol
CID 13127265
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol
CID 10470279
5-(4-methylphenyl)-4-(4-methylsulfinylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 162576486
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
CID 18463648
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 90189417) is 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole is COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is URSPUSHWQLNNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15F3N2O2/c2*1-24-13-7-3-11(4-8-13)15-16(23-17(22-15)18(19,20)21)12-5-9-14(25-2)10-6-12/h2*3-10H,1-2H3,(H,22,23).
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole?
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 696.65 g/mol, XLogP of 9.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 90189417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).