4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole

C24H18F4N2O — CID 171363029

IUPAC4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole
SMILESCc1ccc(-c2cn(C(F)(F)C(F)(F)Oc3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H18F4N2O/c1-17-12-14-18(15-13-17)21-16-30(22(29-21)19-8-4-2-5-9-19)23(25,26)24(27,28)31-20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyCUPZGFRVDIKCJE-UHFFFAOYSA-N
MW426.41 g/mol
LogP6.75
Rot. Bonds6

About 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole

4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole (PubChem CID 171363029) has the molecular formula C24H18F4N2O and a molecular weight of 426.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole
PubChem CID171363029
Molecular FormulaC24H18F4N2O
Molecular Weight426.41 g/mol
Exact Mass426.14
IUPAC Name4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole
SMILESCc1ccc(-c2cn(C(F)(F)C(F)(F)Oc3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H18F4N2O/c1-17-12-14-18(15-13-17)21-16-30(22(29-21)19-8-4-2-5-9-19)23(25,26)24(27,28)31-20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyCUPZGFRVDIKCJE-UHFFFAOYSA-N
XLogP6.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.41
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980
5-iodo-4-phenyl-1-[1,1,2,2-tetrafluoro-2-(4-methoxyphenoxy)ethyl]triazole
CID 139192978
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol
CID 10137399
3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849312
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole?
The IUPAC name of 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole (CID 171363029) is 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole?
The canonical SMILES for 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole is Cc1ccc(-c2cn(C(F)(F)C(F)(F)Oc3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole?
The InChIKey is CUPZGFRVDIKCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2O/c1-17-12-14-18(15-13-17)21-16-30(22(29-21)19-8-4-2-5-9-19)23(25,26)24(27,28)31-20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole?
4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole has a molecular weight of 426.41 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-phenyl-1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)imidazole is sourced from PubChem (CID 171363029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).