2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole

C24H18F4N2O2 — CID 141217433

IUPAC2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C24H18F4N2O2/c1-31-17-7-3-5-14(11-17)21-22(15-6-4-8-18(12-15)32-2)30-23(29-21)19-10-9-16(13-20(19)25)24(26,27)28/h3-13H,1-2H3,(H,29,30)
InChIKeyOJEKEXXROHLQJV-UHFFFAOYSA-N
MW442.41 g/mol
LogP6.59
Rot. Bonds5

About 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole

2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole (PubChem CID 141217433) has the molecular formula C24H18F4N2O2 and a molecular weight of 442.41 g/mol. Its IUPAC name is 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole
PubChem CID141217433
Molecular FormulaC24H18F4N2O2
Molecular Weight442.41 g/mol
Exact Mass442.13
IUPAC Name2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C24H18F4N2O2/c1-31-17-7-3-5-14(11-17)21-22(15-6-4-8-18(12-15)32-2)30-23(29-21)19-10-9-16(13-20(19)25)24(26,27)28/h3-13H,1-2H3,(H,29,30)
InChIKeyOJEKEXXROHLQJV-UHFFFAOYSA-N
XLogP6.59
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.41
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(3-methoxyphenyl)-2-(2-phenylphenyl)-1H-imidazole
CID 151753479
2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 6618129
2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole
CID 175398068
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 58875260
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649070
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
2-[2-fluoro-4-(3-methoxyphenyl)phenyl]-7-hydroxy-5-methoxy-3H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 91600309
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-methoxy-1H-benzimidazole
CID 11596972

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole (CID 141217433) is 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole is COc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2-c2cccc(OC)c2)c1.
What is the InChIKey of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The InChIKey is OJEKEXXROHLQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2O2/c1-31-17-7-3-5-14(11-17)21-22(15-6-4-8-18(12-15)32-2)30-23(29-21)19-10-9-16(13-20(19)25)24(26,27)28/h3-13H,1-2H3,(H,29,30).
What are the key properties of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole?
2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole has a molecular weight of 442.41 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 141217433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).