2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole

C25H21F3N2O2 — CID 53244019

IUPAC2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(OC)cc3)n2C)cc1
InChIInChI=1S/C25H21F3N2O2/c1-30-23(17-6-12-20(31-2)13-7-17)22(16-4-10-19(11-5-16)25(26,27)28)29-24(30)18-8-14-21(32-3)15-9-18/h4-15H,1-3H3
InChIKeyPRJCXHFERHPHAQ-UHFFFAOYSA-N
MW438.45 g/mol
LogP6.46
Rot. Bonds5

About 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole

2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 53244019) has the molecular formula C25H21F3N2O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID53244019
Molecular FormulaC25H21F3N2O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC Name2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(OC)cc3)n2C)cc1
InChIInChI=1S/C25H21F3N2O2/c1-30-23(17-6-12-20(31-2)13-7-17)22(16-4-10-19(11-5-16)25(26,27)28)29-24(30)18-8-14-21(32-3)15-9-18/h4-15H,1-3H3
InChIKeyPRJCXHFERHPHAQ-UHFFFAOYSA-N
XLogP6.46
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 13050574
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710918
2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 71608846
4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 67133119
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
CID 141483083
1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 15288233
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole (CID 53244019) is 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole is COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(OC)cc3)n2C)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is PRJCXHFERHPHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O2/c1-30-23(17-6-12-20(31-2)13-7-17)22(16-4-10-19(11-5-16)25(26,27)28)29-24(30)18-8-14-21(32-3)15-9-18/h4-15H,1-3H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole?
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 438.45 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 53244019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).